SCHEMBL21761052

SCHEMBL21761052

CC(C)(O)CSc1cc(Br)ccc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
KDM1A O60341 2/20 0.33
NOTUM Q6P988 1/20 0.32
CFTR P13569 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
MAPT P10636 1/20 0.30
POLB P06746 1/20 0.30
CDK1 P06493 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL21760689 0.85 CA2 (0.35) KDM1ANOTUMMAPTPOLB
SCHEMBL15821770 0.83 KDM1A (0.36) KDM1APOLB
SCHEMBL21761049 0.78 CCR2 (0.38) KDM1ANOTUMPOLB
SCHEMBL21761023 0.77
SCHEMBL14994081 0.76 KDM1A (0.38) KDM1APTGDR2
SCHEMBL21761046 0.75 SMN1; SMN2 (0.39) PTGDR2MAPT
SCHEMBL21761024 0.75 MAOB (0.41) MAPT
SCHEMBL21760572 0.73 POLB (0.43) PTGS2MAPTPOLB
SCHEMBL21761100 0.72 RXFP1 (0.44) MAPTPOLB
SCHEMBL21761047 0.71 KDM1A (0.38) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3842439-A1 BICYCLIC HETEROAROMATIC RING DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2021-06-30 EP disclosed
WO-2020040104-A1 BICYCLIC HETEROAROMATIC RING DERIVATIVE 杏林製薬株式会社 2020-02-27 WO disclosed