SCHEMBL23536244

SCHEMBL23536244

C=CC(F)(F)c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
CYP2A6 P11509 1/20 0.38
TRPV1 Q8NER1 1/20 0.33
TGM2 P21980 2/20 0.32
F13A1 P00488 1/20 0.32
LMNA P02545 1/20 0.32
TGM1 P22735 1/20 0.32
TGM3 Q08188 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 2/20 0.31
MAPK1 P28482 1/20 0.31
PYCR1 P32322 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 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
SCHEMBL7644558 0.87 NR1H2 (0.34) TGM2ALDH1A1
SCHEMBL11431 0.78 CA2 (0.48) CA1CA2CA5ACA9CYP2A6
SCHEMBL3011297 0.75 CYP2A6 (0.42) CA1CA2CA5ACA9CYP2A6
SCHEMBL7793928 0.75 TSHR (0.50) CA1CA2CA5ACA9ALDH1A1
SCHEMBL32670433 0.74 AR (0.47) CA1CA2CA5ACA9CYP2A6
SCHEMBL19851267 0.73 KMT2A (0.30)
SCHEMBL21995400 0.72 CA1 (0.46) CA1CA2CA5ACA9CYP2A6
SCHEMBL3010421 0.71 CYP2A6 (0.38) CA1CA2CA5ACA9CYP2A6
SCHEMBL6596280 0.71 CYP2A6 (0.38) CA1CA2CA5ACA9CYP2A6
SCHEMBL24465044 0.71 KIF11 (0.43) LMNAALDH1A1MAPK1

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
CN-116113698-A TRPML modulators 卡斯玛治疗公司 2023-05-12 CN disclosed
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
CN-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed