SCHEMBL3144540

SCHEMBL3144540

Cc1ccc2c(c1)CCN(Cc1ccc([N+](=O)[O-])cc1)CC2

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 2/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
KCNJ1 P48048 1/20 0.53
SIGMAR1 Q99720 2/20 0.50
GAA P10253 1/20 0.50
NPC1 O15118 1/20 0.49
NR2F2 P24468 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
DRD2 P14416 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
SCHEMBL3159818 0.85 DRD2 (0.57) KDM4ESMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL3148683 0.84 HDAC1 (0.61) KDM4ESMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL3153649 0.83 KDM4E (0.60) KDM4ESMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL3149701 0.83 KDM4E (0.63) KDM4ESMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL3161300 0.82 ALDH1A1 (0.61) KDM4ESMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL3144845 0.82 ABCB1 (0.52) KDM4ESMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL3161817 0.79 LMNA (0.57) ALDH1A1LMNASIGMAR1DRD2
SCHEMBL3143480 0.78 DRD2 (0.53) KDM4ESMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL3152306 0.78 ACACB (0.55) KDM4ESMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL20776813 0.77 LMNA (0.45) KDM4ESMN1; SMN2MAPTALDH1A1LMNA

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-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
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