SCHEMBL5301158

SCHEMBL5301158

c1ccc(Cc2ccc(N3CCCC3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 3/20 0.58
LTA4H P09960 7/20 0.53
MAPT P10636 3/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NR4A1 P22736 1/20 0.53
NPC1 O15118 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
RAB9A P51151 2/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
STAT1 P42224 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
DRD4 P21917 1/20 0.50
CALM1 P0DP23 1/20 0.50
CNR2 P34972 1/20 0.49

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
SCHEMBL28198974 0.98 CHKA (0.56) CHKALTA4HMAPTALDH1A1KDM4E
SCHEMBL11850922 0.91 TRIM24 (0.56) CHKAMAPTALDH1A1KDM4ENPC1
SCHEMBL11859247 0.89 ALDH1A1 (0.57) CHKAMAPTALDH1A1KDM4ENPC1
SCHEMBL5791945 0.84 LMNA (0.64) LTA4HMAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL7582559 0.82 NCF1 (0.57) CHKALTA4HMAPTALDH1A1KDM4E
SCHEMBL6560078 0.82 SIGMAR1 (0.68) LTA4HALDH1A1TSHRHSD17B10
SCHEMBL27847240 0.82 NCF1 (0.48) CHKAMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL11843077 0.82 ALDH1A1 (0.70) CHKAMAPTALDH1A1KDM4ENPC1
Hydrochloric Acid SCHEMBL2881381 0.81 SIGMAR1 (0.66) LTA4HALDH1A1TSHRHSD17B10
SCHEMBL7265455 0.81 PRMT6 (0.66) CHKAMAPTALDH1A1KDM4EHPGD

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-2007020565-A1 OXIDIZING HAIR COLORING AGENTS CONTAINING M-AMINOPHENOL DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 2007-02-22 WO disclosed