Sugi Predict

Sugi Predict / Compounds / SCHEMBL29696971

SCHEMBL29696971

SCHEMBL29696971

Cc1cc(F)ccc1SCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 5/20 0.52
▸ HRH3 Q9Y5N1 12/20 0.50
▸ SIGMAR1 Q99720 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL24564593 1.00 AR (0.52) ARHRH3SIGMAR1NPC1RAB9A
SCHEMBL24564582 0.90 AR (0.54) ARHRH3SIGMAR1NPC1RAB9A
SCHEMBL29696974 0.88 MEN1 (0.55) ARHRH3SIGMAR1NPC1RAB9A
SCHEMBL29697017 0.88 MEN1 (0.50) ARHRH3SIGMAR1MEN1ALDH1A1
SCHEMBL24564625 0.88 MEN1 (0.55) ARHRH3SIGMAR1NPC1RAB9A
SCHEMBL24564645 0.88 MEN1 (0.50) ARHRH3SIGMAR1MEN1ALDH1A1
SCHEMBL29697045 0.87 AR (0.61) ARHRH3SIGMAR1NPC1RAB9A
SCHEMBL24564626 0.87 AR (0.61) ARHRH3SIGMAR1NPC1RAB9A
SCHEMBL24564697 0.86 HRH3 (0.50) ARHRH3SIGMAR1MEN1ALDH1A1
SCHEMBL24564747 0.84 AR (0.54) ARHRH3SIGMAR1MEN1ALDH1A1

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-2022140464-A1 COMPOUNDS AND METHODS FOR TREATING AUTOIMMUNE DISORDERS BY TARGETING HLA-DQ2 IMMUNOMOLECULAR THERAPEUTICS, INC. (US) 2022-06-30 — — WO disclosed