SCHEMBL7424534

SCHEMBL7424534

CCc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)c(NC(=O)C2CCC(C(=O)O)CC2)s1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
POLB P06746 3/20 0.47
GAA P10253 2/20 0.47
HIF1A Q16665 1/20 0.47
ACKR3 P25106 1/20 0.46
REV1 Q9UBZ9 1/20 0.43
AKR1B1 P15121 2/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SENP5 Q96HI0 1/20 0.39
SENP2 Q9HC62 1/20 0.39
SENP1 Q9P0U3 1/20 0.39
ROCK2 O75116 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL8206839 0.93 MAPT (0.49) MAPTPOLBGAAHIF1AACKR3
Bicarbonate SCHEMBL7424539 0.92 POLB (0.47) MAPTPOLBGAAHIF1AACKR3
SCHEMBL7430376 0.90 ACKR3 (0.48) MAPTPOLBACKR3REV1AKR1B1
SCHEMBL7420131 0.88 AKR1B1 (0.48) MAPTPOLBACKR3AKR1B1ALDH1A1
SCHEMBL8212952 0.87 GAA (0.55) MAPTPOLBGAAHIF1AREV1
SCHEMBL7424975 0.86 GAA (0.50) MAPTPOLBGAAHIF1AREV1
SCHEMBL8206201 0.83 MAPT (0.46) MAPTPOLBGAAHIF1AACKR3
SCHEMBL8207845 0.83 AKR1B1 (0.47) MAPTPOLBACKR3AKR1B1ALDH1A1
SCHEMBL7889261 0.82 ALDH1A1 (0.55) MAPTPOLBACKR3AKR1B1ALDH1A1
Bicarbonate SCHEMBL7430381 0.82 POLB (0.48) MAPTPOLBACKR3AKR1B1ALDH1A1

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 4 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
EP-0934301-A1 AMINOTHIOPHENE CARBOXYLIC ACID AMIDES AND THE USE THEREOF AS PHOSPHODIESTERASE INHIBITORS MERCK PATENT GmbH (DE) 1999-08-11 EP disclosed
WO-1998016521-A1 AMINOTHIOPHENE CARBOXYLIC ACID AMIDES AND THE USE THEREOF AS PHOSPHODIESTERASE INHIBITORS MERCK PATENT GMBH (DE) 1998-04-23 WO disclosed