SCHEMBL7420128

SCHEMBL7420128

CC(C)n1nccc1Nc1ccccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.45
AKR1C3 P42330 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
AKR1B10 O60218 2/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
AKR1B1 P15121 2/20 0.44
PTGS2 P35354 2/20 0.44
AKR1C2 P52895 2/20 0.44
AKR1C1 Q04828 2/20 0.44
HIF1A Q16665 2/20 0.44
TRPA1 O75762 1/20 0.44
ABCB11 O95342 1/20 0.44
DHFR P00374 1/20 0.44
MPO P05164 1/20 0.44
CHRM1 P11229 1/20 0.44
PTGS1 P23219 1/20 0.44

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
SCHEMBL5473412 0.81 SMO (0.49) FABP4AKR1C3MEN1KMT2AAKR1B10
SCHEMBL5008627 0.78 MAPK8 (0.50) FABP4AKR1C3MEN1KMT2AAKR1B10
SCHEMBL7330959 0.74 MAPK8 (0.46) FABP4AKR1C3MEN1KMT2ALMNA
SCHEMBL30454848 0.74 ALDH1A1 (0.51) KMT2AHPGDKDM4EALDH1A1POLB
SCHEMBL6345006 0.73 OXTR (0.45) FABP4MEN1KMT2AMAPK8AURKA
SCHEMBL7332935 0.72 KMT2A (0.53) FABP4MEN1KMT2AMAPK8GAA
SCHEMBL5008447 0.72 GFER (0.69) AKR1C3MEN1KMT2AAKR1B10CYP2C9
SCHEMBL5473230 0.71 GFER (0.47) FABP4AKR1C3MEN1KMT2AAKR1B10
SCHEMBL355549 0.71 FABP4 (0.80) FABP4AKR1C3MEN1KMT2AAKR1B10
SCHEMBL30320327 0.71 FABP4 (0.80) FABP4AKR1C3MEN1KMT2AAKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6008226-A AN ENZYME INHIBITOR OF C-GMP-PHOSPHODIESTERASE FOR TREATING HEART FAILURE, HYPERTENSION, REVERSING OR REDUCING NITRATE-INDUCED TOLERANCE AND ANGINA PECTORIS, CONGESTIVE HEART DISEASE AND MYOCARDIAL INFARCTION SANOFI-SYNTHELABO (FR) 1999-12-28 US disclosed
US-5852035-A Method for inhibiting neoplastic cells and related conditions by exposure to substituted N- arylmethyl and heterocyclmethyl-1H-pyrazolo (3,4-B) quinolin-4-amines CELL PATHWAYS, INC. (US) 1998-12-22 US disclosed
US-5843956-A Substituted N-arylmethyl and heterocyclylmethyl-1H-pyrazolo (3,4-b) quinolin-4-amines and compositions and methods of use thereof SANOFI (FR) 1998-12-01 US disclosed
EP-0813410-A4 SUBSTITUTED N-ARYLMETHYL AND HETEROCYCLYLMETHYL-1H-PYRAZOLO 3,4-b]QUINOLIN-4-AMINES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP INC (US) 1998-08-19 EP disclosed
EP-0813410-A1 SUBSTITUTED N-ARYLMETHYL AND HETEROCYCLYLMETHYL-1H-PYRAZOLO 3,4-b]QUINOLIN-4-AMINES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP, INC. (US) 1997-12-29 EP disclosed
US-5614530-A GMP PHOSPHODIESTERASE INHIBITOR, HYPOTENSIVE STERLING WINTHROP INC. (US) 1997-03-25 US disclosed
WO-1996028159-A1 SUBSTITUTED N-ARYLMETHYL AND HETEROCYCLYLMETHYL-1H-PYRAZOLO[3,4-b]QUINOLIN-4-AMINES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP, INC. (US) 1996-09-19 WO disclosed