SCHEMBL7139239

SCHEMBL7139239

BrCc1ccc2cnn(C3CCCCO3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.55
RXRB P28702 1/20 0.55
RXRG P48443 1/20 0.55
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
CYP4F2 P78329 5/20 0.38
CYP4A11 Q02928 5/20 0.38
ATR Q13535 7/20 0.35
PIK3CD O00329 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
MET P08581 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30375962 1.00 RXRA (0.55) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL2471554 0.90 RXRA (0.64) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL24900268 0.88 RXRA (0.58) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL17039301 0.88 RXRA (0.55) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL7132596 0.88 RXRA (0.55) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL22912884 0.84 RXRA (0.73) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL2144301 0.83 RXRA (0.50) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL29756229 0.83 RXRA (0.50) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL17034421 0.81 RXRA (0.50) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL21786656 0.81 RXRA (0.50) RXRARXRBRXRGALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118317951-A Phthalazine derivatives as pyruvate kinase modulators 西特瑞治疗有限公司 2024-07-09 CN disclosed
WO-2023079294-A1 PHTHALAZINE DERIVATIVES AS PYRUVATE KINASE MODULATORS SITRYX THERAPEUTICS LIMITED (GB) 2023-05-11 WO disclosed
WO-2001079195-A9 PYRIDINE AND PYRAZINE DERIVATIVES AS THROMBIN INHIBITORS CORVAS INT INC (US) 2003-10-23 WO disclosed
US-6541467-B1 And at P1 have a six-membered heterocyclic ring having two ring nitrogen ring atoms and the remainder of the ring atoms carbon atoms. CORVAS INTERNATIONAL, INC. 2003-04-01 US disclosed
US-6506754-B1 Compounds as anticoagulants CORVAS INTERNATIONAL, INC. 2003-01-14 US disclosed
US-6506761-B1 Compound of the invention are active as inhibitors of Thrombin and are useful in treating disease states in mammals which are characterized by abnormal thrombosis and have the following structure: CORVAS INTERNATIONAL, INC. 2003-01-14 US disclosed
US-6506760-B1 Compounds of the invention are active as inhibitors of Thrombin and are useful in treating disease states in mammals which are characterized by abnormal thrombosis and have the following structure: CORVAS INTERNATIONAL, INC. 2003-01-14 US disclosed
WO-2001079195-A2 PYRIDINE AND PYRAZINE DERIVATIVES AS THROMBIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 2001-10-25 WO disclosed
WO-2001079261-A1 TETRAHYDRO-AZEPINONE DERIVATIVES AS THROMBIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 2001-10-25 WO disclosed
WO-2001079193-A2 SUBSTITUTED HYDRAZINYL HETEROAROMATIC INHIBITORS OF THROMBIN CORVAS INTERNATIONAL, INC. (US) 2001-10-25 WO disclosed
WO-2001079262-A1 PYRAZINONE AND PYRIDINONE DERIVATIVES AS THROMBIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 2001-10-25 WO disclosed