SCHEMBL18070987

SCHEMBL18070987

N#Cc1ccc(NC(=O)c2nccnc2NC[C@@H]2CCC[C@H]2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 1/20 0.41
▸ PAX8 Q06710 1/20 0.40
▸ EPHX1 P07099 1/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.39
▸ SCD O00767 1/20 0.38
▸ SAE1 Q9UBE0 1/20 0.38
▸ UBA2 Q9UBT2 1/20 0.38
▸ DPP4 P27487 1/20 0.37
▸ MLYCD O95822 1/20 0.37
▸ NAMPT P43490 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ DGAT1 O75907 2/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ TAS1R2 Q8TE23 1/20 0.36
▸ SOAT1 P35610 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CD38 P28907 1/20 0.35
▸ ATR Q13535 1/20 0.35

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
SCHEMBL18070946 1.00 RET (0.41) RETPAX8EPHX1EGLN1SCD
SCHEMBL18070895 0.88 GRM4 (0.47) EGLN1KMT2AATR
SCHEMBL18070894 0.88 GRM4 (0.47) EGLN1KMT2AATR
SCHEMBL18070999 0.86 KMT2A (0.47) EGLN1KMT2AATR
SCHEMBL18070897 0.86 KMT2A (0.47) EGLN1KMT2AATR
SCHEMBL18070989 0.86 EGLN1 (0.48) RETEGLN1CHRM1GAAKMT2A
SCHEMBL18070984 0.86 EGLN1 (0.48) RETEGLN1CHRM1GAAKMT2A
SCHEMBL18049003 0.86 EGLN1 (0.48) RETEGLN1CHRM1GAAKMT2A
SCHEMBL18070997 0.84 KDR (0.49) RETEPHX1EGLN1CHRM1GAA
SCHEMBL18070932 0.84 KDR (0.49) RETEPHX1EGLN1CHRM1GAA

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-2016144797-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
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