SCHEMBL3148683

SCHEMBL3148683

COc1ccc2c(c1)CCN(Cc1ccc([N+](=O)[O-])cc1)CC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
DRD4 P21917 1/20 0.57
KCNJ1 P48048 2/20 0.55
KCNH2 Q12809 1/20 0.55
HTT P42858 3/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
LMNA P02545 1/20 0.50
ACHE P22303 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
ABCC1 P33527 2/20 0.49

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
SCHEMBL3151684 0.93 DRD4 (0.60) HDAC1HDAC6DRD4KCNJ1KCNH2
SCHEMBL3144489 0.93 DRD4 (0.60) HDAC1HDAC6DRD4KCNJ1KCNH2
SCHEMBL3161300 0.86 ALDH1A1 (0.61) HTTMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL8789944 0.84 KCNJ1 (0.67) DRD4KCNJ1KCNH2ABCG2ABCB1
SCHEMBL8790326 0.84 KCNJ1 (0.67) KCNJ1KCNH2ABCG2ABCB1
SCHEMBL3144540 0.84 KDM4E (0.55) KCNJ1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL3159818 0.82 DRD2 (0.57) DRD4KCNJ1MAPTKDM4EALDH1A1
SCHEMBL25058892 0.82 HDAC1 (0.66) HDAC1HDAC6DRD4KCNH2SMN1; SMN2
SCHEMBL18177850 0.81 KCNJ1 (0.61) KCNJ1KCNH2HTTMAPTKDM4E
SCHEMBL3148037 0.81 HDAC1 (0.65) HDAC1HDAC6DRD4KCNH2SMN1; SMN2

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