SCHEMBL25703071

SCHEMBL25703071

N[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 4/20 0.43
▸ CES2 O00748 2/20 0.42
▸ CES1 P23141 2/20 0.42
▸ PDE2A O00408 2/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.40
▸ ACP3 P15309 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ IDO1 P14902 2/20 0.39
▸ HTR3E A5X5Y0 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ PLAU P00749 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ HTR3D Q70Z44 1/20 0.39
▸ HTR3C Q8WXA8 1/20 0.39
▸ ORAI1 Q96D31 1/20 0.38
▸ ORAI2 Q96SN7 1/20 0.38
▸ ORAI3 Q9BRQ5 1/20 0.38
▸ TRPV6 Q9H1D0 1/20 0.38
▸ MGLL Q99685 1/20 0.38

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
SCHEMBL1052004 1.00 KIF11 (0.43) KIF11CES2CES1PDE2ATAAR1
SCHEMBL296390 1.00 KIF11 (0.43) KIF11CES2CES1PDE2ATAAR1
Hydrochloric Acid SCHEMBL25210776 0.98 KIF11 (0.41) KIF11CES2CES1PDE2ATAAR1
Hydrochloric Acid SCHEMBL25244098 0.98 KIF11 (0.41) KIF11CES2CES1PDE2ATAAR1
Hydrochloric Acid SCHEMBL18247977 0.82 PDE2A (0.47) KIF11CES2CES1PDE2ATAAR1
Hydrochloric Acid SCHEMBL20494402 0.82 PDE2A (0.47) KIF11CES2CES1PDE2ATAAR1
SCHEMBL15137434 0.80 KIF11 (0.46) KIF11CES2CES1PDE2ATAAR1
SCHEMBL28471171 0.80 KIF11 (0.46) KIF11CES2CES1PDE2ATAAR1
SCHEMBL15670412 0.80 KIF11 (0.46) KIF11CES2CES1PDE2ATAAR1
SCHEMBL2009543 0.80 KIF11 (0.46) KIF11CES2CES1PDE2ATAAR1

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-2023094830-A1 SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS LARIO THERAPEUTICS LIMITED (GB) 2023-06-01 — — WO disclosed
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