SCHEMBL31416110

SCHEMBL31416110

CCN(C[C@H](C)O)C(=S)Nc1nnc(Cc2cc(F)cc(F)c2)s1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.40
▸ KMT2A Q03164 6/20 0.37
▸ MEN1 O00255 5/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 3/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ GLS O94925 3/20 0.34
▸ MAPT P10636 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
SCHEMBL24846095 0.87 DGAT1 (0.42) DGAT1KMT2AMEN1TSHRCYP1A2
SCHEMBL31416105 0.82 SCD (0.42) KMT2AMEN1KDM4ENPC1ALDH1A1
SCHEMBL24846119 0.82 KMT2A (0.39) DGAT1KMT2AMEN1TSHRCYP1A2
SCHEMBL24846603 0.81 SMN1; SMN2 (0.39) DGAT1KMT2AMEN1TSHRCYP1A2
SCHEMBL24846062 0.78 DGAT1 (0.43) DGAT1KMT2AMEN1TSHRCYP1A2
SCHEMBL24846089 0.78 DGAT1 (0.43) DGAT1KMT2AMEN1TSHRCYP1A2
SCHEMBL24846114 0.78 KMT2A (0.48) DGAT1KMT2AMEN1TSHRCYP1A2
SCHEMBL24846671 0.76 DGAT1 (0.40) DGAT1KMT2AMEN1TSHRCYP1A2
SCHEMBL24846672 0.74 SMN1; SMN2 (0.42) KMT2AMEN1TSHRCYP1A2CYP3A4
SCHEMBL31416112 0.74 NTRK1 (0.33) KMT2APOLBALDH1A1LMNA

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-2025002360-A1 MRGPRX2 ANTAGONIST, PHARMACEUTICAL COMPOSITION AND USE THEREOF 北京普祺医药科技股份有限公司 2025-01-02 — — WO disclosed
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