SCHEMBL23249644

SCHEMBL23249644

NC(=O)C(Cl)CCc1c[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
MAPT P10636 5/20 0.55
GAA P10253 1/20 0.55
CYP1A2 P05177 3/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
MPO P05164 2/20 0.54
HTR2A P28223 2/20 0.54
CYP2A6 P11509 1/20 0.54
NFKB1 P19838 1/20 0.54
HTR1D P28221 1/20 0.54
HTR1B P28222 1/20 0.54
HTR2C P28335 1/20 0.54
HTR7 P34969 1/20 0.54
CTSK P43235 1/20 0.54
HTR6 P50406 1/20 0.54
CYP2A13 Q16696 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
CYP2C19 P33261 2/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL7602497 0.83 MAPT (0.59) ALDH1A1MAPTGAACYP1A2CYP3A4
SCHEMBL28931928 0.81 ALDH1A1 (0.56) ALDH1A1MAPTGAACYP1A2CYP3A4
SCHEMBL1769610 0.78 MAPT (0.74) ALDH1A1MAPTGAACYP1A2CYP3A4
SCHEMBL1769607 0.78 MAPT (0.74) ALDH1A1MAPTGAACYP1A2CYP3A4
SCHEMBL29414366 0.78 MAPT (0.74) ALDH1A1MAPTGAACYP1A2CYP3A4
SCHEMBL27426182 0.78 MAPT (0.74) ALDH1A1MAPTGAACYP1A2CYP3A4
SCHEMBL5738746 0.78 CYP3A4 (0.65) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL1233175 0.78 ALDH1A1 (0.55) ALDH1A1MAPTGAACYP1A2CYP3A4
SCHEMBL664283 0.77 MAPT (0.70) ALDH1A1MAPTGAACYP1A2CYP3A4
SCHEMBL7969785 0.77 HTR2A (0.62) ALDH1A1MAPTGAACYP1A2CYP3A4

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-4045043-A1 COMPOUNDS AND METHODS FOR MODULATING IMMUNE-RELATED PROTEINS Vividion Therapeutics, Inc. (US) 2022-08-24 EP disclosed
WO-2021076703-A1 COMPOUNDS AND METHODS FOR MODULATING IMMUNE-RELATED PROTEINS VIVIDION THERAPEUTICS, INC. (US) 2021-04-22 WO disclosed