SCHEMBL9023447

SCHEMBL9023447

C=C(c1cccc(N)c1)c1ccc2ccc(F)cc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B14 Q9BPX1 3/20 0.40
▸ LMNA P02545 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ F2 P00734 2/20 0.35
▸ PLG P00747 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ AR P10275 1/20 0.34
▸ PBRM1 Q86U86 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ CNR2 P34972 2/20 0.33
▸ KDR P35968 2/20 0.33
▸ CDK5 Q00535 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
SCHEMBL8746411 0.84 CNR2 (0.47) HSD17B14LMNAKDM4EALDH1A1GAA
SCHEMBL9023714 0.78 IRAK4 (0.47) LMNAHTTKDM4EALDH1A1TP53
SCHEMBL9339006 0.75 MAPT (0.44) LMNAHTTKDM4EALDH1A1TP53
SCHEMBL9335203 0.71 UNG (0.40) HSD17B14HTTKDM4EALDH1A1MAPT
SCHEMBL19070659 0.71 F2 (0.56) LMNAKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL18463775 0.71 KDM4E (0.39) HSD17B14LMNAKDM4EMAPTAR
SCHEMBL9335094 0.70 BACE1 (0.36) HSD17B14HTTKDM4EGAAMAPT
SCHEMBL25167088 0.70 NPC1 (0.41) CDK5CDK5R1KDM1APARP1MEN1
SCHEMBL9757049 0.68 NR4A2 (0.41) HSD17B14LMNAKDM4EALDH1A1GAA
SCHEMBL16396188 0.66 PBRM1 (0.59) LMNAKDM4EALDH1A1GAAMAPT

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
EP-0725063-A1 Quinoline derivatives CIBA-GEIGY AG (CH) 1996-08-07 — — EP disclosed
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