SCHEMBL31704793

SCHEMBL31704793

COC(=O)c1csc(C2=CCNCC2)n1.COC(=O)c1csc(C2=CCNCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ CHEK1 O14757 2/20 0.42
▸ CRBN Q96SW2 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ QDPR P09417 2/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ CLK1 P49759 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ GABRR1 P24046 2/20 0.34
▸ RGS12 O14924 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ GABRR2 P28476 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ GNAI1 P63096 1/20 0.34

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
SCHEMBL31706060 1.00 MAOA (0.46) MAOAACHECHEK1CRBNMAPT
Hydrochloric Acid SCHEMBL2584674 0.85 RAB9A (0.50) CHEK1MAPTMEN1KMT2ANPC1
SCHEMBL20801748 0.83 GABRP (0.44) ACHECHEK1QDPRALDH1A1TSHR
Hydrochloric Acid SCHEMBL2581107 0.82 LMNA (0.45) ACHECHEK1QDPRALDH1A1TSHR
SCHEMBL31704506 0.76 QDPR (0.36) CHEK1MAPTMEN1KMT2AQDPR
SCHEMBL31706294 0.76 MAOA (0.46) MAOAACHECRBNMAPTMEN1
SCHEMBL31706419 0.76 QDPR (0.36) CHEK1MAPTMEN1KMT2AQDPR
SCHEMBL31705862 0.76 MAOA (0.46) MAOAACHECRBNMAPTMEN1
SCHEMBL14656020 0.76 ACHE (0.64) MAOAACHEMAPTMEN1KMT2A
SCHEMBL7934174 0.74 SCN9A (0.40) CRBNMAPTQDPRNPC1RAB9A

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-2025215110-A1 NEW AMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS SOS1 INHIBITORS LES LABORATOIRES SERVIER (FR) 2025-10-16 — — WO disclosed
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