SCHEMBL31184478

SCHEMBL31184478

COc1ccc(NC(=O)C2(C)CCC(N3Cc4c(C)ccc(OC)c4NC3=O)CC2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ NAMPT P43490 1/20 0.33

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
SCHEMBL31184672 0.94 MAPT (0.36) MAPTCRHBPCRHR2ALDH1A1SMN1; SMN2
SCHEMBL31184793 0.92 ALDH1A1 (0.42) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL31184867 0.91 ALDH1A1 (0.44) MAPTCRHBPCRHR2ALDH1A1SMN1; SMN2
SCHEMBL31185021 0.88 MAPT (0.36) MAPTCRHBPCRHR2ALDH1A1SMN1; SMN2
SCHEMBL31184987 0.85 HTR2B (0.36) MAPTCRHBPCRHR2TP53
SCHEMBL31185060 0.85 SMN1; SMN2 (0.47) MAPTALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL31184984 0.83 HTR2A (0.38) MAPTCRHBPCRHR2MEN1KMT2A
SCHEMBL31184638 0.82 PARP1 (0.37) MAPTCRHBPCRHR2SMN1; SMN2CNR1
SCHEMBL31184643 0.82 PARP1 (0.37) MAPTCRHBPCRHR2SMN1; SMN2CNR1
SCHEMBL31185067 0.80 POLB (0.36) MAPTALDH1A1SMN1; SMN2MAPK1KMT2A

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-2024220626-A1 SMALL MOLECULE MODULATORS OF OGG1 AZKARRA THERAPEUTICS, INC. (US) 2024-10-24 — — WO disclosed
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