SCHEMBL8414958

SCHEMBL8414958

c1ccc2c(c1)nnn2-c1nccs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
ALDH1A1 P00352 5/20 0.54
LMNA P02545 3/20 0.54
KCNMA1 Q12791 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
SLC9A1 P19634 2/20 0.42
CYP1A2 P05177 2/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
KEAP1 Q14145 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
THPO P40225 1/20 0.42
CYP4Z1 Q86W10 1/20 0.42
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 2/20 0.40

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
SCHEMBL16796215 0.73 RAB9A (0.68) RAB9AALDH1A1LMNAKCNMA1SMN1; SMN2
SCHEMBL13604203 0.72 RAB9A (0.53) RAB9AALDH1A1LMNAKCNMA1SMN1; SMN2
SCHEMBL12685425 0.72 LMNA (0.49) RAB9AALDH1A1LMNAKCNMA1SMN1; SMN2
SCHEMBL24135110 0.72 RAB9A (0.45) RAB9AALDH1A1LMNAKCNMA1SMN1; SMN2
SCHEMBL1387982 0.71 PDE10A (0.54) ALDH1A1LMNACYP1A2POLBCYP17A1
SCHEMBL30355239 0.70 RAB9A (1.00) RAB9AALDH1A1LMNAKCNMA1SMN1; SMN2
SCHEMBL678640 0.70 RAB9A (1.00) RAB9AALDH1A1LMNAKCNMA1SMN1; SMN2
SCHEMBL12204565 0.70 SMN1; SMN2 (0.62) RAB9AALDH1A1LMNAKCNMA1SMN1; SMN2
SCHEMBL4888542 0.70 CYP17A1 (0.50) ALDH1A1LMNACYP1A2MAPTKDM4E
SCHEMBL8414962 0.69 KDM4E (0.43) RAB9AALDH1A1LMNAMAPTKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778577-A1 NOVEL COMPOUND EXHIBITING ENTEROPEPTIDASE INHIBITORY ACTIVITY LG CHEM, LTD. (KR) 2021-02-17 EP disclosed
US-5935769-A POLYESTER SUPPORT IS A BIAXIALLY STRETCHED POLYESTER FILM OBTAINED FROM A NAPHTHALENEDICARBOXYLIC ACID AND A DIOL; THE DEVELOPING SOLUTION AND THE FIXING SOLUTION BEING PREPARED BY DISSOLVING, IN WATER, A SOLID DEVELOPING COMPOSITION AND A KONICA CORPORATION (JP) 1999-08-10 US disclosed
US-5266448-A Black and white developing bath FUJI PHOTO FILM CO., LTD. (JP) 1993-11-30 US disclosed