SCHEMBL7744757

SCHEMBL7744757

O=C(Nc1oc(-c2ccccc2-c2ccc([N+](=O)[O-])cc2O)nc1-c1ccccc1Cl)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
LMNA P02545 1/20 0.45
MGAM O43451 2/20 0.42
GAA P10253 2/20 0.42
SI P14410 2/20 0.42
MGAM2 Q2M2H8 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CXCR1 P25024 1/20 0.41
CXCR2 P25025 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
PPARG P37231 2/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41

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
SCHEMBL7746625 0.94 CA1 (0.46) MAPTLMNAMGAMGAASI
SCHEMBL7746566 0.90 FLT1 (0.49) MAPTRAB9AALDH1A1CA1CA2
SCHEMBL7746638 0.89 FLT1 (0.43) MAPTMGAMGAASIMGAM2
SCHEMBL7746612 0.89 KDR (0.48) MAPTLMNAGAAALDH1A1CXCR1
SCHEMBL7744754 0.88 HDAC2 (0.48) MAPTLMNAMGAMGAASI
SCHEMBL7744652 0.88 KDR (0.44) MAPTLMNAALDH1A1PPARGKMT2A
SCHEMBL7744764 0.85 ADCY1 (0.45) MAPTLMNAGAARAB9AALDH1A1
SCHEMBL7744078 0.84 MAPT (0.49) MAPTRAB9AALDH1A1KMT2AMEN1
SCHEMBL7739006 0.84 KDR (0.43) MAPTRAB9AALDH1A1CA1CA2
SCHEMBL7739025 0.84 FLT1 (0.42) MAPTLMNARAB9AALDH1A1CA1

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
EP-1097147-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2001-11-21 EP claimed
EP-1097147-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-05-09 EP claimed
WO-2000002871-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-01-20 WO claimed
EP-1097147-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2001-11-21 EP disclosed
EP-1097147-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-05-09 EP disclosed
US-6228871-B1 THIAZOLE OR OXAZOLE DERIVATIVE TYROSINE KINASE INHIBITORS; ANTICARCINOGENIC AGENTS; AUTOIMMUNE DISEASES; DIABETIC RETINOPATHY MERCK & CO., INC. 2001-05-08 US disclosed
WO-2000002871-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-01-20 WO disclosed