SCHEMBL29029890

SCHEMBL29029890

Nc1cccc(C(=O)Nc2ccccc2)c1N.Nc1cccc(C(=O)O)c1N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.64
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ ALOX12 P18054 1/20 0.58
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ PRKCI P41743 1/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SENP8 Q96LD8 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SENP6 Q9GZR1 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL392794 0.95 ALDH1A1 (0.59) ALDH1A1CYP3A4CYP2C9ALOX12MEN1
Hydrochloric Acid SCHEMBL11743648 0.93 ALDH1A1 (0.58) ALDH1A1CYP3A4CYP2C9ALOX12MEN1
Terephthalamide SCHEMBL9725048 0.86 HDAC3 (0.54) ALDH1A1CYP3A4CYP2C9ALOX12MEN1
Benzidine SCHEMBL8535004 0.85 FADS1 (0.49) ALDH1A1CYP3A4CYP2C9ALOX12MEN1
SCHEMBL28997738 0.83 MEN1 (0.53) ALDH1A1CYP3A4CYP2C9ALOX12MEN1
SCHEMBL1140055 0.83 PTGS1 (0.68) ALDH1A1CYP3A4CYP2C9ALOX12MEN1
SCHEMBL73593 0.82 G6PD (0.65) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL30797265 0.82 G6PD (0.65) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL11819146 0.82 ALDH1A1 (0.66) ALDH1A1CYP3A4CYP2C9ALOX12MEN1
SCHEMBL27826357 0.81 NPC1 (0.61) ALDH1A1CYP2C9MEN1KMT2ALMNA

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
CN-116390975-B Grease composition and electronic component using same 京瓷株式会社 2025-04-22 — — CN disclosed
CN-116390975-A Grease composition and electronic component using same 京瓷株式会社 2023-07-04 — — CN disclosed
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