SCHEMBL9423979

SCHEMBL9423979

Cc1ccc(N2CCOCC2)c(N=C(N)N(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
LMNA P02545 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 1/20 0.41
PRKDC P78527 1/20 0.40
MAPT P10636 4/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL9423977 1.00 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2HPGDPRKDC
Hydrochloric Acid SCHEMBL9424435 0.99 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2HPGDPRKDC
Hydrochloric Acid SCHEMBL9424436 0.99 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2HPGDPRKDC
SCHEMBL9424333 0.90 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2HPGDPRKDC
SCHEMBL9424332 0.90 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2HPGDPRKDC
SCHEMBL9059425 0.86 NPC1 (0.36) ALDH1A1LMNASMN1; SMN2HPGDPRKDC
SCHEMBL9059423 0.86 NPC1 (0.36) ALDH1A1LMNASMN1; SMN2HPGDPRKDC
SCHEMBL9424392 0.86 AKR1C3 (0.46) ALDH1A1LMNASMN1; SMN2HPGDPRKDC
SCHEMBL9424300 0.86 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2HPGDMAPT
SCHEMBL9424397 0.86 AKR1C3 (0.46) ALDH1A1LMNASMN1; SMN2HPGDPRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5223498-A Hypoglycemic agents THE BOOTS COMPANY PLC (GB) 1993-06-29 US claimed
EP-0385038-B1 ORTHO-SUBSTITUTED PHENYL AMIDINE AND PHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM The Boots Company PLC (GB) 1993-06-02 EP claimed
EP-0385038-A1 Ortho-substituted phenyl amidine and phenyl guanidine derivatives and antidiabetic or hypoglycaemic agents containing them The Boots Company PLC (GB) 1990-09-05 EP claimed
CN-1037346-C Therapeutic agents BOOTS CO LTD (GB) 1998-02-11 CN disclosed
US-5373008-A Phenylamidine and phenylguanidine derivatives and their use as anti-diabetic agents THE BOOTS COMPANT PLC. (GB) 1994-12-13 US disclosed
US-5223498-A Hypoglycemic agents THE BOOTS COMPANY PLC (GB) 1993-06-29 US disclosed
EP-0385038-B1 ORTHO-SUBSTITUTED PHENYL AMIDINE AND PHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM The Boots Company PLC (GB) 1993-06-02 EP disclosed
CN-1057648-A Therapeutical agent BOOTS CO PLC (GB) 1992-01-08 CN disclosed
EP-0385038-A1 Ortho-substituted phenyl amidine and phenyl guanidine derivatives and antidiabetic or hypoglycaemic agents containing them The Boots Company PLC (GB) 1990-09-05 EP disclosed