SCHEMBL3157646

SCHEMBL3157646

CCN(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(OC)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
CYP19A1 P11511 1/20 0.55
PTGS2 P35354 1/20 0.55
ACHE P22303 4/20 0.53
BCHE P06276 2/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
TTR P02766 1/20 0.49
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL3143902 0.86 ACHE (0.65) CYP19A1PTGS2ACHEBCHEALDH1A1
Hydrochloric Acid SCHEMBL27940294 0.83 KMT2A (0.51) CYP1A2CYP2D6CYP2C9CYP2C19CYP19A1
SCHEMBL3157181 0.81 CYP2C19 (0.59) CYP1A2CYP2D6CYP2C9CYP2C19ACHE
SCHEMBL29484277 0.79 TAS2R14 (0.61) CYP19A1PTGS2ALDH1A1SMN1; SMN2MEN1
SCHEMBL3153190 0.79 CDC25C (0.67) CYP1A2CYP2D6CYP2C9ACHEALDH1A1
SCHEMBL17895364 0.79 TAS2R14 (0.61) CYP19A1PTGS2ALDH1A1SMN1; SMN2MEN1
SCHEMBL3151848 0.79 CYP19A1 (0.61) CYP19A1ACHEBCHEALDH1A1MEN1
SCHEMBL8806978 0.78 CRHBP (0.59) CYP19A1PTGS2ACHESMN1; SMN2MEN1
SCHEMBL3161766 0.78 CYP1A2 (0.75) CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL8790287 0.77 ACHE (0.53) ACHEALDH1A1SMN1; SMN2MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224170-B9 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2017-11-22 EP disclosed
EP-2157081-A1 Indolinones substituted in six locations, their manufacture and their application as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2010-02-24 EP disclosed
EP-1224170-B1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2009-08-12 EP disclosed
US-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 US disclosed
US-6545035-B1 Having effect on various kinases and cycline/CDK complexes and on the proliferation of various tumour cells. BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-08 US disclosed
US-6319918-B1 FOR LYMPHOMA OR SOLID TUMORS TREATMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-20 US disclosed