SCHEMBL27457779

SCHEMBL27457779

COC(=O)c1nccc(N2CCC(F)(F)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.44
▸ ACACB O00763 5/20 0.43
▸ PTGER4 P35408 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ SORD Q00796 1/20 0.40
▸ SCN10A Q9Y5Y9 2/20 0.40
▸ CRBN Q96SW2 3/20 0.39
▸ TRPV3 Q8NET8 1/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ WNT1 P04628 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ RIPK1 Q13546 1/20 0.38

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
SCHEMBL27457780 0.83 PTGER4 (0.45) ROCK2ACACBPTGER4SORDSCN10A
SCHEMBL31706076 0.83 ROCK2 (0.41) ROCK2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL31706298 0.81 HRH3 (0.52) HSD17B10SORDHRH4HRH3
SCHEMBL31706338 0.81 HRH3 (0.52) HSD17B10SORDHRH4HRH3
SCHEMBL31706327 0.79 ROCK2 (0.39) ROCK2PTGER4CYP3A4CYP2D6TSHR
SCHEMBL31704767 0.77 CKS1B (0.49) TSHRHSD17B10SORDHRH4HRH3
SCHEMBL20746083 0.76 CRBN (0.59) ROCK2ACACBCYP3A4CYP2D6SCN10A
SCHEMBL31705550 0.76 CKS1B (0.48) HSD17B10
SCHEMBL31705275 0.76 CKS1B (0.48) HSD17B10
SCHEMBL31704852 0.75 GPR119 (0.53) CRBN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024137984-A1 INHIBITORS OF KIF18A AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2024-06-27 — — WO disclosed
WO-2024137984-A1 INHIBITORS OF KIF18A AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2024-06-27 — — WO disclosed
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