SCHEMBL29030628

SCHEMBL29030628

[O-][n+]1cnc(-c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 2/20 0.61
CTDSP1 Q9GZU7 1/20 0.61
ASIC3 Q9UHC3 2/20 0.40
MIF P14174 1/20 0.40
KMO O15229 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TGFBR1 P36897 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH4 Q9H3N8 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
SCHEMBL30566980 1.00 ALDH1A1 (0.61) ALDH1A1KDM4ECTDSP1ASIC3MIF
SCHEMBL385296 0.90 KDM4E (0.51) ALDH1A1KDM4ECTDSP1KMONPC1
SCHEMBL386268 0.90 KDM4E (0.51) ALDH1A1KDM4ECTDSP1NPC1RAB9A
SCHEMBL386142 0.86 ALDH1A1 (0.48) ALDH1A1KDM4ECTDSP1TGFBR1KMT2A
SCHEMBL385322 0.85 ALDH1A1 (0.47) ALDH1A1KDM4ECTDSP1ASIC3NPC1
SCHEMBL383734 0.85 HSD17B1 (0.49) ALDH1A1KDM4ECTDSP1RAB9ASMN1; SMN2
SCHEMBL384921 0.81 ALDH1A1 (0.46) ALDH1A1KDM4ECTDSP1ASIC3NPC1
SCHEMBL386466 0.81 KDM4E (0.46) ALDH1A1KDM4ECTDSP1KMONPC1
SCHEMBL385326 0.80 ALDH1A1 (0.44) ALDH1A1KDM4ECTDSP1NPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL386200 0.80 KDM4E (0.41) ALDH1A1KDM4ECTDSP1KMO

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-116350535-A Hair-fixing and developing composition and application thereof 杭州芙因生物科技有限公司 2023-06-30 CN claimed
CN-116350535-A Hair-fixing and developing composition and application thereof 杭州芙因生物科技有限公司 2023-06-30 CN disclosed