SCHEMBL6182664

SCHEMBL6182664

Cc1cc(C)nc(NC(=N)NOCc2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.46
▸ LMNA P02545 4/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ POLB P06746 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.42
▸ NPC1 O15118 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39

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
SCHEMBL6183952 0.79 MAPT (0.44) RAB9AMEN1KMT2APOLBALDH1A1
SCHEMBL5923306 0.78 ALDH1A1 (0.48) RAB9ALMNAMEN1KMT2APOLB
SCHEMBL5923453 0.76 MAPK1 (0.63) RAB9ALMNAMEN1KMT2APOLB
SCHEMBL10388189 0.76 KMT2A (0.66) RAB9ALMNAMEN1KMT2APOLB
SCHEMBL2801059 0.76 ALDH1A1 (0.48) RAB9ALMNAMEN1KMT2AALDH1A1
SCHEMBL10388188 0.75 LMNA (0.54) RAB9ALMNAMEN1KMT2APOLB
SCHEMBL4101661 0.75 LMNA (0.54) RAB9ALMNAMEN1KMT2APOLB
SCHEMBL4101663 0.75 LMNA (0.54) RAB9ALMNAMEN1KMT2APOLB
SCHEMBL5923123 0.75 RAB9A (0.51) RAB9ALMNAMEN1KMT2APOLB
SCHEMBL6182511 0.74 KMT2A (0.47) RAB9ALMNAMEN1KMT2APOLB

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
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 — — EP disclosed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 — — EP disclosed
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