SCHEMBL16070306

SCHEMBL16070306

CCSSCC[n+]1ccccc1/C=C/c1cc2c3c(c1)CCCN3CCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 2/20 0.35
▸ KDM2A Q9Y2K7 2/20 0.35
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ APOBEC3A P31941 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ RAD52 P43351 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL10104234 0.95 KMT2A (0.35) KDM4AKDM2AKMT2AMEN1NPC1
SCHEMBL14392763 0.91 KMT2A (0.32) KDM4AKDM2AKMT2AMEN1NPC1
SCHEMBL16070353 0.86 KMT2A (0.35) KDM4AKDM2AKMT2AMEN1NPC1
SCHEMBL21005825 0.83 — —
SCHEMBL18774333 0.83 KDM4A (0.42) KDM4AKDM2AKMT2AMEN1NPC1
SCHEMBL14392878 0.83 KMT2A (0.35) KDM4AKDM2AKMT2AMEN1NPC1
SCHEMBL13695037 0.81 — —
SCHEMBL14399338 0.81 MTNR1A (0.34) ALDH1A1
SCHEMBL10104252 0.80 NPY1R (0.34) ALDH1A1
SCHEMBL19649340 0.80 KMT2A (0.35) KMT2AMEN1NPC1RAB9AALDH1A1

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-2018847-B1 Hair composition comprising at least one direct disulfide dye and at least one alkali hydroxide agent and method of simultaneous styling and dyeing. ORÉAL L (FR) 2014-09-17 — — EP disclosed
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