SCHEMBL22112660

SCHEMBL22112660

Nc1ccc2cc(C3CCCC3)[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
MAPT P10636 3/20 0.51
GFER P55789 2/20 0.51
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HRH4 Q9H3N8 2/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
KDM5A P29375 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
BLM P54132 1/20 0.35
UBE2N P61088 1/20 0.35
RXFP1 Q9HBX9 2/20 0.34
CACNA1B Q00975 1/20 0.34

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
SCHEMBL19329852 0.93 MAPT (0.43) KDM4EMAPTGFERNPC1RAB9A
SCHEMBL24906160 0.85 KDM4E (0.50) KDM4EMAPTGFERNPC1RAB9A
SCHEMBL20100550 0.79 RAB9A (0.53) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL1465598 0.79 CYP2A6 (0.52) KDM4EMAPTGFERNPC1RAB9A
SCHEMBL3640169 0.77 AOC3 (0.44) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL17540810 0.76 METAP2 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL10441226 0.75 AOC3 (0.42) KDM4ENPC1RAB9AALDH1A1CYP2A6
SCHEMBL30864294 0.74 HRH4 (0.43) HRH4
SCHEMBL22091286 0.70 MAPT (0.94) KDM4EMAPTGFERNPC1RAB9A
SCHEMBL20740536 0.69 CYP19A1 (0.44) MAPTNPC1ALDH1A1HRH4MEN1

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-2020120576-A1 p38α AUTOPHOSPHORYLATION INHIBITORS FUNDACIÓ INSTITUT DE RECERCA BIOMÈDICA (IRB BARCELONA) (ES) 2020-06-18 WO disclosed