SCHEMBL7234752

SCHEMBL7234752

CN(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 3/20 0.54
POLB P06746 1/20 0.54
PYCR1 P32322 1/20 0.51
MGAM O43451 1/20 0.50
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46
RAB9A P51151 1/20 0.46
TLR9 Q9NR96 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KCNH2 Q12809 1/20 0.46
PDE5A O76074 2/20 0.46

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
SCHEMBL16312618 0.84 HRH2 (0.55) MAPTKCNH2
Hydrochloric Acid SCHEMBL27940298 0.81 MAPT (0.55) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3149388 0.79 TAAR1 (0.54) MAPTALDH1A1KCNH2
SCHEMBL1040562 0.78 MAPT (0.76) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2601968 0.78 HRH2 (0.52) MAPTMEN1KMT2AKCNH2
SCHEMBL141303 0.76 MAPT (0.59) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL30448936 0.76 MAPT (0.59) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3143221 0.75 CRHBP (0.71) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3148248 0.75 ACHE (0.64) MAPTALDH1A1PYCR1CRHBPCRHR2
SCHEMBL11693746 0.74 HRH2 (0.55) MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1100779-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2001-05-23 EP disclosed
WO-2000073297-A1 SUBSTITUTED INDOLINONE AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-12-07 WO disclosed
WO-1999062882-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-12-09 WO disclosed