SCHEMBL31416107

SCHEMBL31416107

O=C(Nc1ncc(Cc2cc(F)cc(F)c2)s1)n1ccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 2/20 0.46
▸ LMNA P02545 5/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ NFKB1 P19838 2/20 0.45
▸ NFKB2 Q00653 2/20 0.45
▸ RELA Q04206 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ GPER1 Q99527 1/20 0.43
▸ ABL1 P00519 2/20 0.42
▸ PSEN1 P49768 5/20 0.42
▸ PSEN2 P49810 5/20 0.42
▸ APH1B Q8WW43 5/20 0.42
▸ NCSTN Q92542 5/20 0.42
▸ APH1A Q96BI3 5/20 0.42

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
SCHEMBL354602 0.78 FFAR2 (0.42) KMT2ASMN1; SMN2
SCHEMBL24953968 0.76 MEN1 (0.66) SCDLMNAMEN1KMT2ANPC1
SCHEMBL595893 0.73 SMN1; SMN2 (0.52) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL31510715 0.73 PSEN1 (0.53) SCDLMNAMEN1KMT2ANPC1
SCHEMBL24953825 0.70 SCD (0.48) SCDLMNAMEN1KMT2ANPC1
SCHEMBL31416108 0.69 SCD (0.48) SCDLMNAMEN1KMT2ANPC1
SCHEMBL15834798 0.69 RAB9A (0.56) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL31416104 0.69 NPC1 (0.47) SCDLMNAMEN1KMT2ANPC1
SCHEMBL24953932 0.68 SCD (0.47) SCDLMNAMEN1KMT2ANPC1
SCHEMBL24953915 0.68 SCD (0.47) SCDLMNAMEN1KMT2ANPC1

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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