SCHEMBL22084443

SCHEMBL22084443

N=Cc1c(N)cc(Br)cc1NCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ TP53 P04637 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ APP P05067 4/20 0.36
▸ P2RY4 P51582 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ HDAC1 Q13547 3/20 0.35
▸ HDAC8 Q9BY41 3/20 0.35
▸ HDAC6 Q9UBN7 3/20 0.35
▸ CISD1 Q9NZ45 1/20 0.34

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
SCHEMBL19249261 0.86 IDO1 (0.36) MAPTIDO1
SCHEMBL19249331 0.85 CYP1A2 (0.43) KDM4EMAPTLMNAIDO1
SCHEMBL19249347 0.84 ALDH1A1 (0.45) HSD17B10KDM4EHPGDGAAMAPT
SCHEMBL4792453 0.79 BACE1 (0.51) BACE1HSD17B10KDM4EHPGDTSHR
SCHEMBL23073193 0.78 MAPT (0.48) GAAMAPTAPPLMNAHTT
SCHEMBL1519151 0.75 SMN1; SMN2 (0.47) BACE1HSD17B10KDM4EHPGDTSHR
SCHEMBL3235742 0.75 SMN1; SMN2 (0.47) BACE1HSD17B10KDM4EHPGDTSHR
SCHEMBL18930487 0.75 SMN1; SMN2 (0.50) HSD17B10KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL22083868 0.74 CDK7 (0.34) —
SCHEMBL22083943 0.73 OPRM1 (0.31) MAPTIDO1

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-2020113816-A1 4-AROMATIC HETEROCYCLIC SUBSTITUTED INDAZOLE AND USE THEREOF AS IDO/TDO DUAL INHIBITOR 西华大学 2020-06-11 — — WO disclosed
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