SCHEMBL5593360

SCHEMBL5593360

Cc1ccc(N)cc1-c1cc(C(=O)NCc2cccnc2)on1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
ALDH1A1 P00352 4/20 0.50
TP53 P04637 4/20 0.50
RAB9A P51151 4/20 0.50
NPC1 O15118 4/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
POLB P06746 1/20 0.50
NAMPT P43490 1/20 0.49
HTT P42858 3/20 0.48
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
MMP13 P45452 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL21246564 0.79 RECQL (0.58) TSHRALDH1A1LMNACYP1A2CYP3A4
SCHEMBL29437185 0.79 RECQL (0.58) TSHRALDH1A1LMNACYP1A2CYP3A4
SCHEMBL4551596 0.79 NAMPT (0.54) TSHRCYP1A2CYP3A4CYP2C9NAMPT
SCHEMBL14473103 0.77 MEN1 (0.46) TSHRALDH1A1TP53RAB9ANPC1
SCHEMBL5603996 0.76 NAMPT (0.45) TSHRTP53LMNACYP1A2CYP3A4
SCHEMBL4419761 0.75 CYP1A2 (0.49) TSHRALDH1A1RAB9ANPC1LMNA
SCHEMBL4551597 0.75 MAPK14 (0.60) TP53NAMPTSMN1; SMN2
SCHEMBL5603875 0.75 NAMPT (0.41) TSHRALDH1A1TP53RAB9ANPC1
SCHEMBL5593016 0.74 TEK (0.53) TSHRALDH1A1RAB9ANPC1LMNA
SCHEMBL4410223 0.74 MAPK14 (0.47) TSHRALDH1A1TP53RAB9ANPC1

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-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed