SCHEMBL7412404

SCHEMBL7412404

CCCCn1c(Cc2ccc(Br)cc2)cc2cc(OC)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
DYRK1A Q13627 1/20 0.38
PTGS2 P35354 1/20 0.38
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MAPT P10636 2/20 0.37

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
SCHEMBL7415409 0.85 KDM4E (0.42) ERBB2KDM4EHSD17B10GRIK1GRIK2
SCHEMBL7412797 0.84 KMT2A (0.43) KDM4EALDH1A1SMN1; SMN2MEN1GAA
SCHEMBL8803837 0.83 ALDH1A1 (0.39) KDM4EHSD17B10PTGS2ALDH1A1SMN1; SMN2
SCHEMBL8801176 0.83 PSEN1 (0.42) KDM4EALDH1A1SMN1; SMN2MEN1GAA
SCHEMBL7412913 0.81 THRB (0.47) KDM4EALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL8801906 0.78 CNR2 (0.46) KDM4ESMN1; SMN2HPGDMAPTTP53
SCHEMBL8803243 0.77 CNR2 (0.46) KDM4ESMN1; SMN2HPGDMAPTTP53
SCHEMBL7409597 0.77 CNR2 (0.46) KDM4ESMN1; SMN2HPGDMAPTTP53
SCHEMBL7410321 0.76 SMN1; SMN2 (0.45) KDM4EALDH1A1SMN1; SMN2MEN1GAA
SCHEMBL7415597 0.75 MTNR1B (0.42) MEN1KMT2AMTNR1AMTNR1BCCR2

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
EP-0640080-B1 SUBSTITUTED INDOLES AS ANGIOTENSIN II ANTAGONISTS SYNTEX INC (US) 1997-10-22 EP disclosed
EP-0640080-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS. SYNTEX INC (US) 1995-03-01 EP disclosed
US-5380739-A Angiotensin II antagonists SYNTEX (U.S.A.) INC. (US) 1995-01-10 US disclosed
WO-1993023391-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-11-25 WO disclosed
US-5212195-A Substituted indole antagonists derivatives which are angiotensin II SYNTEX (U.S.A.) INC. (US) 1993-05-18 US disclosed