SCHEMBL23099746

SCHEMBL23099746

CC(Cc1ccccc1)NSc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 11/20 0.49
▸ TAAR1 Q96RJ0 3/20 0.49
▸ SLC18A2 Q05940 1/20 0.49
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ TSHR P16473 1/20 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
SCHEMBL12487706 0.88 SIGMAR1 (0.57) SIGMAR1TAAR1SLC18A2MEN1KMT2A
SCHEMBL16312822 0.73 SIGMAR1 (0.61) SIGMAR1TAAR1SLC18A2MEN1KMT2A
SCHEMBL19505482 0.71 SIGMAR1 (0.81) SIGMAR1
SCHEMBL20627066 0.71 SIGMAR1 (0.49) SIGMAR1TAAR1SLC18A2MEN1KMT2A
SCHEMBL5832992 0.70 PLA2G1B (0.49) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL14604364 0.69 SIGMAR1 (0.65) SIGMAR1TAAR1SLC18A2MEN1KMT2A
SCHEMBL7986083 0.69 SIGMAR1 (0.65) SIGMAR1TAAR1SLC18A2MEN1KMT2A
SCHEMBL3379115 0.69 SIGMAR1 (0.65) SIGMAR1TAAR1SLC18A2MEN1KMT2A
SCHEMBL3379120 0.69 SIGMAR1 (0.65) SIGMAR1TAAR1SLC18A2MEN1KMT2A
SCHEMBL19505483 0.69 SIGMAR1 (0.82) SIGMAR1

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-2021050992-A1 USP30 INHIBITORS AND USES THEREOF VINCERE BIOSCIENCES, INC. (US) 2021-03-18 — — WO disclosed
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