SCHEMBL7562883

SCHEMBL7562883

O=COC(Cc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
LMNA P02545 1/20 0.40
AKR1C3 P42330 1/20 0.40
CHRM2 P08172 1/20 0.40
POLB P06746 1/20 0.39
KCNH2 Q12809 2/20 0.38
PTGS2 P35354 1/20 0.38
GAA P10253 1/20 0.38
MMP2 P08253 1/20 0.38
KCNJ1 P48048 1/20 0.37

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
SCHEMBL7729896 0.78 IDO1 (0.44) IDO1LOXL2ALDH1A1TSHRCYP2C19
SCHEMBL28524238 0.78 AKR1C3 (0.46) IDO1LOXL2ALDH1A1TSHRCYP2C19
SCHEMBL14010380 0.74 LOXL2 (0.53) IDO1LOXL2ALDH1A1TSHRCYP2C19
SCHEMBL13541455 0.73 TSHR (0.50) IDO1LOXL2ALDH1A1TSHRCYP2C19
SCHEMBL27594776 0.73 ALDH1A1 (0.42) IDO1ALDH1A1TSHRCYP1A2LMNA
SCHEMBL8710389 0.73 EPHX1 (0.44) CYP1A2
SCHEMBL23111943 0.73 KMT2A (0.50) ALDH1A1CYP2C19CYP1A2AKR1C3MMP2
SCHEMBL29602251 0.73 KMT2A (0.50) ALDH1A1CYP2C19CYP1A2AKR1C3MMP2
SCHEMBL23111942 0.73 KMT2A (0.50) ALDH1A1CYP2C19CYP1A2MMP2
SCHEMBL23409273 0.73 KMT2A (0.50) ALDH1A1CYP2C19CYP1A2MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0764152-B1 SUBSTITUTED INDOLYLMETHYLENE-OXINDOLE ANALOGUES AS TYROSINE KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2002-07-31 EP claimed
EP-0764152-B1 SUBSTITUTED INDOLYLMETHYLENE-OXINDOLE ANALOGUES AS TYROSINE KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2002-07-31 EP disclosed
EP-0853614-B1 SUBSTITUTED TETRALYLMETHYLEN-OXINDOLE ANALOGUES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN SPA (IT) 2001-10-04 EP disclosed
US-6147073-A IMPROVED BIOAVAILABILITY PHARMACIA & UPJOHN S.P.A. (IT) 2000-11-14 US disclosed
US-5905149-A CHEMICAL CONDENSATION OF ALDEHYDE WITH INDOLONE COMPOUND PHARMACIA & UPJOHN S.P.A (IT) 1999-05-18 US disclosed
US-5849710-A Substituted indolylmethylene-oxindole analogues as tyrosine kinase inhibitors PHARMACIA & UPJOHN S.P.A. (IT) 1998-12-15 US disclosed
EP-0764152-A1 SUBSTITUTED INDOLYLMETHYLENE-OXINDOLE ANALOGUES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1997-03-26 EP disclosed
WO-1996032380-A1 SUBSTITUTED INDOLYLMETHYLENE-OXINDOLE ANALOGUES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1996-10-17 WO disclosed