SCHEMBL29836739

SCHEMBL29836739

Cc1noc(C)c1-c1ccc(N)nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.46
BRD2 P25440 2/20 0.46
CYP1A2 P05177 7/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
JAK2 O60674 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TDO2 P48775 1/20 0.40
CYP2C19 P33261 4/20 0.38
MAPK1 P28482 1/20 0.38
BRD3 Q15059 1/20 0.38
AR P10275 1/20 0.38
CYP3A4 P08684 4/20 0.37
HSD17B10 Q99714 2/20 0.37
MBOAT4 Q96T53 1/20 0.37
CYP2D6 P10635 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
SCHEMBL15836978 0.79 BRD4 (0.46) BRD4BRD2CYP1A2MEN1ALDH1A1
SCHEMBL30522617 0.75 BRD4 (0.46) BRD4BRD2CYP1A2MEN1ALDH1A1
SCHEMBL17875696 0.74 BRD4 (0.44) BRD4BRD2CYP1A2MEN1ALDH1A1
SCHEMBL26818393 0.70 CCR1 (0.56) BRD4BRD2CYP1A2MEN1ALDH1A1
SCHEMBL14568110 0.70 P2RX7 (0.48) BRD4BRD2ALDH1A1TSHR
SCHEMBL13982304 0.70 CYP1A2 (0.43) BRD4BRD2CYP1A2MEN1ALDH1A1
SCHEMBL30522551 0.70 BRD4 (0.53) BRD4BRD2JAK2BRD3MLYCD
SCHEMBL4018886 0.70 BRD4 (0.53) BRD4BRD2JAK2BRD3MLYCD
SCHEMBL21188481 0.69 BRD4 (0.44) BRD4BRD2CYP1A2MEN1ALDH1A1
SCHEMBL22545493 0.68 BCAT2 (0.39) ALDH1A1TLR8HSD17B10ALOX15

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-2022157686-A1 INHIBITORS OF ANOCTAMIN 6 PROTEIN AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-07-28 WO disclosed