SCHEMBL9541798

SCHEMBL9541798

NCc1cccc(-c2csc(-c3cc(-c4ccccc4)cc(CN)n3)n2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 2/20 0.41
KDM4E B2RXH2 4/20 0.38
KMT2A Q03164 3/20 0.38
AR P10275 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
RAB9A P51151 3/20 0.37
PLAU P00749 1/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
Hydrochloric Acid SCHEMBL8315483 0.99 SREBF2 (0.40) SREBF2KDM4EKMT2AARALDH1A1
Hydrochloric Acid SCHEMBL8313523 0.82 CYP19A1 (0.39) KDM4EKMT2AARALDH1A1MEN1
SCHEMBL8316361 0.78 GAA (0.40) SREBF2KDM4EKMT2AALDH1A1SMN1; SMN2
SCHEMBL16414214 0.75 MEN1 (0.49) KDM4EKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL1239870 0.72 MEN1 (0.60) KDM4EKMT2AALDH1A1MEN1LMNA
SCHEMBL8313981 0.72 EIF4E (0.44) SREBF2KDM4EKMT2AARALDH1A1
SCHEMBL8546015 0.72 TAAR1 (0.48) KMT2AALDH1A1MEN1LOXL2TAAR1
Hydrochloric Acid SCHEMBL9297800 0.71 FBP1 (0.50) KDM4EKMT2AARALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL26616811 0.70 MEN1 (0.58) KDM4EKMT2AALDH1A1MEN1LMNA
SCHEMBL9073580 0.70 IRAK4 (0.40) KDM4EKMT2ASMN1; SMN2MEN1LMNA

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-1993011433-A1 LUMINESCENT LANTHANIDE CHELATES WALLAC OY (FI) 1993-06-10 WO disclosed