SCHEMBL22334849

SCHEMBL22334849

Pc1csc(N2CCC(c3ccccc3)CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.57
▸ RAB9A P51151 6/20 0.52
▸ NPC1 O15118 5/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ CYP1A2 P05177 3/20 0.52
▸ CYP2C9 P11712 3/20 0.52
▸ CYP2C19 P33261 3/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.49
▸ MLYCD O95822 1/20 0.45
▸ AR P10275 3/20 0.44
▸ DHFR P00374 2/20 0.44
▸ TP53 P04637 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ SLC18A3 Q16572 2/20 0.40

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
SCHEMBL22334971 0.92 RAB9A (0.62) MAPTRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL22334924 0.79 MAPT (0.57) MAPTRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL18003335 0.79 MAPT (0.54) MAPTRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL22334847 0.76 RAB9A (0.44) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL18674597 0.73 RAB9A (0.84) MAPTRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL3066594 0.73 HSD17B10 (0.58) MAPTRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL18003332 0.72 MAPT (0.52) MAPTRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL28699866 0.71 DHFR (0.50) MAPTRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL29671544 0.70 DHFR (0.46) MAPTRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL22334799 0.70 NOTUM (0.48) CYP2C19MEN1HPGDKMT2AALDH1A1

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-3142638-B1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN OXIDATION BASE AND A PARTICULAR HETEROARYL COUPLER OREAL (FR) 2020-08-12 — — EP disclosed
Send feedback