SCHEMBL20113277

SCHEMBL20113277

O=C1c2c(ccc3ccccc23)CC1Br

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.43
ANPEP P15144 1/20 0.43
CES1 P23141 1/20 0.41
DNMT1 P26358 1/20 0.40
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
PAX8 Q06710 1/20 0.37
WDR5 P61964 1/20 0.37
CYP2A6 P11509 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GPR84 Q9NQS5 1/20 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
SCHEMBL12031024 0.83 CES1 (0.39) CYP19A1ANPEPCES1DNMT1ALDH1A1
SCHEMBL1825039 0.79 ACHE (0.49) CYP19A1ANPEPCES1DNMT1
SCHEMBL9325902 0.72 CES1 (0.38) CYP19A1ANPEPCES1DNMT1ALDH1A1
SCHEMBL8653085 0.72 CYP19A1 (0.41) CYP19A1ANPEPDNMT1ALDH1A1KDM4E
SCHEMBL30286791 0.70 CYP19A1 (0.38) CYP19A1ANPEPDNMT1
SCHEMBL9174741 0.70 CYP19A1 (0.38) CYP19A1ANPEPDNMT1
SCHEMBL6987200 0.68 DNMT1 (0.46) ANPEPCES1DNMT1ALDH1A1KDM4E
SCHEMBL8552212 0.68 CES1 (0.34) CES1
SCHEMBL6759607 0.67 DNMT1 (0.44) ANPEPCES1DNMT1ALDH1A1KDM4E
SCHEMBL30617063 0.67 DNMT1 (0.44) ANPEPCES1DNMT1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018078068-A1 PROCESS FOR PREPARATION OF SUBSTITUTED 2-HALO-BENZINDENE COMPOUNDS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2018-05-03 WO disclosed