SCHEMBL7889261

SCHEMBL7889261

CCc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)c(NC(=O)c2ccc(C(=O)O)cc2)s1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.51
GRIN2C Q14957 1/20 0.50
ACKR3 P25106 1/20 0.49
SENP5 Q96HI0 3/20 0.47
SENP2 Q9HC62 3/20 0.47
SENP1 Q9P0U3 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
FFAR1 O14842 1/20 0.46
AKR1B1 P15121 2/20 0.45
LMNA P02545 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
ROCK2 O75116 1/20 0.43

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
SCHEMBL8207378 0.92 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2GRIN2CACKR3
SCHEMBL7889384 0.89 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2ACKR3SENP5
SCHEMBL8209703 0.87 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2ACKR3SENP5
SCHEMBL7889265 0.86 GRIN2C (0.60) ALDH1A1MAPTSMN1; SMN2GRIN2CMEN1
SCHEMBL7424534 0.82 MAPT (0.47) ALDH1A1MAPTSMN1; SMN2ACKR3SENP5
Bicarbonate SCHEMBL7424539 0.81 POLB (0.47) ALDH1A1MAPTSMN1; SMN2ACKR3MEN1
SCHEMBL8206839 0.80 MAPT (0.49) ALDH1A1MAPTSMN1; SMN2ACKR3SENP5
SCHEMBL8210314 0.80 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2ACKR3SENP5
SCHEMBL8210426 0.80 ACKR3 (0.53) ALDH1A1MAPTACKR3MEN1KMT2A
SCHEMBL7893018 0.80 NR1H4 (0.56) ALDH1A1MAPTSMN1; SMN2GRIN2CMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934301-B1 AMINOTHIOPHENE CARBOXYLIC ACID AMIDES AND THE USE THEREOF AS PHOSPHODIESTERASE INHIBITORS MERCK PATENT GMBH (DE) 2001-06-20 EP disclosed
US-6143777-A ENZYME INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-07 US disclosed