SCHEMBL3153145

SCHEMBL3153145

CN(Cc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 2/20 0.62
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
KCNH2 Q12809 2/20 0.55
KCNJ1 P48048 1/20 0.53
HSPB1 P04792 1/20 0.51
MMP1 P03956 2/20 0.49
MMP2 P08253 2/20 0.49
MMP9 P14780 2/20 0.49
MMP8 P22894 2/20 0.49
MMP13 P45452 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 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
SCHEMBL3143221 0.84 CRHBP (0.71) PYCR1CRHBPCRHR2KCNH2L3MBTL1
SCHEMBL3148248 0.84 ACHE (0.64) PYCR1CRHBPCRHR2KCNH2MMP1
SCHEMBL3152135 0.83 PYCR1 (0.62) PYCR1CRHBPCRHR2KCNH2MMP1
SCHEMBL3148676 0.83 PYCR1 (0.62) PYCR1CRHBPCRHR2KCNH2SMN1; SMN2
SCHEMBL3154646 0.82 PYCR1 (0.66) PYCR1CRHBPCRHR2KCNH2L3MBTL1
SCHEMBL7226902 0.82 PYCR1 (0.57) PYCR1CRHBPCRHR2KCNH2MMP1
SCHEMBL3737073 0.81 KCNJ1 (0.51) PYCR1CRHBPCRHR2KCNH2KCNJ1
SCHEMBL2351816 0.81 POLB (0.67) PYCR1CRHBPCRHR2KCNH2L3MBTL1
SCHEMBL30093198 0.81 PYCR1 (0.67) PYCR1L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL3191532 0.81 PYCR1 (0.67) PYCR1L3MBTL1SMN1; SMN2MEN1KMT2A

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-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
CN-1391557-A 6-substituted indolinones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA (DE) 2003-01-15 CN disclosed
EP-1224170-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma KG (DE) 2002-07-24 EP disclosed
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 WO disclosed