SCHEMBL807355

SCHEMBL807355

c1cc(CN2CCCCC2)cs1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.59
HRH4 Q9H3N8 1/20 0.53
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 2/20 0.52
LTA4H P09960 1/20 0.49
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.46
MBTD1 Q05BQ5 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL10674754 0.98 HRH3 (0.56) HRH3HRH4ALDH1A1KDM4ELTA4H
Formic Acid SCHEMBL28851183 0.90 HRH3 (0.48) HRH3HRH4ALDH1A1KDM4ELTA4H
SCHEMBL3373813 0.83 CHRM2 (0.50) HRH3ALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL13041009 0.82 MC4R (0.58) ALDH1A1KDM4ELMNATDP1
SCHEMBL30269770 0.81 HRH3 (0.56) HRH3LTA4HMBTD1L3MBTL3L3MBTL1
SCHEMBL11381001 0.81 ALDH1A1 (0.51) ALDH1A1KDM4ELMNA
SCHEMBL4701933 0.81 ALDH1A1 (0.48) ALDH1A1KDM4ELTA4HLMNA
SCHEMBL3975858 0.81 HRH3 (0.56) HRH3ALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL2264365 0.81 SIGMAR1 (0.56) HRH3ALDH1A1TDP1
SCHEMBL31010302 0.80 HRH3 (0.70) HRH3HRH4ALDH1A1KDM4ECYP2D6

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
CN-109563092-A It can be used as the 2- phenylimidazole of the active inhibitor of mammal tyrosine kinase ROR1 simultaneously [4,5-B] pyridine -7- amine derivative 坎塞拉有限公司 2019-04-02 CN disclosed
CN-107567445-A It can be used as 2 phenyl 3H imidazos [4,5 B] pyridine derivates of mammal EGFR-TK ROR1 activities inhibitor 坎塞拉有限公司 2018-01-09 CN disclosed
CN-102803227-A Morpholinyl quinazolines MERCK PATENT GMBH 2012-11-28 CN disclosed
WO-2012036997-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-22 WO disclosed
CN-100422151-C Diarylmethylidene piperidine derivatives, their preparation and their use ASTRAZENECA AB (SE) 2008-10-01 CN disclosed
CN-1738801-A Diarylmethylidene piperidine derivatives, their preparation and their use ASTRAZENECA AB (SE) 2006-02-22 CN disclosed
US-5610303-A MONOAMIDE OXIDASE INHIBITORS UBE INDUSTRIES, LTD. (JP) 1997-03-11 US disclosed