SCHEMBL30178751

SCHEMBL30178751

Cc1cc(F)ccc1C#CCN

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 9/20 0.45
CYP2C19 P33261 8/20 0.45
CYP2E1 P05181 7/20 0.45
CYP1A2 P05177 7/20 0.45
CYP2B6 P20813 6/20 0.45
CYP2C9 P11712 6/20 0.45
CYP2D6 P10635 6/20 0.45
CYP2C8 P10632 4/20 0.45
CYP3A4 P08684 4/20 0.45
THPO P40225 1/20 0.35
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.30
MME P08473 1/20 0.30
ECE1 P42892 1/20 0.30
MRGPRX4 Q96LA9 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
SCHEMBL24838713 1.00 CYP2A6 (0.45) CYP2A6CYP2C19CYP2E1CYP1A2CYP2B6
SCHEMBL5174617 0.85 CYP2A6 (0.49) CYP2A6CYP2C19CYP2E1CYP1A2CYP2B6
SCHEMBL25602124 0.83 TSHR (0.33) ALDH1A1MAPTMMEECE1MRGPRX4
SCHEMBL7572426 0.81 CYP2C19 (0.47) CYP2A6CYP2C19CYP2E1CYP1A2CYP2B6
SCHEMBL25726911 0.79 CYP2C19 (0.46) CYP2A6CYP2C19CYP2E1CYP1A2CYP2B6
SCHEMBL24837837 0.78 CYP2A6 (0.45) CYP2A6CYP2C19CYP2E1CYP1A2CYP2B6
SCHEMBL30178959 0.78 CYP2A6 (0.45) CYP2A6CYP2C19CYP2E1CYP1A2CYP2B6
SCHEMBL24177166 0.75 IDO1 (0.44) CYP2A6CYP2C19CYP2E1CYP1A2CYP2B6
SCHEMBL29791829 0.75 IDO1 (0.44) CYP2A6CYP2C19CYP2E1CYP1A2CYP2B6
SCHEMBL7580351 0.74 CYP2A6 (0.47) CYP2A6CYP2C19CYP2E1CYP1A2CYP2B6

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
WO-2023239645-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
WO-2023278402-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-01-05 WO disclosed