SCHEMBL27899412

SCHEMBL27899412

Cc1ccccc1-c1nc(NCc2ccc(F)cc2)c2ccccc2n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 7/20 0.71
WDR48 Q8TAF3 7/20 0.71
MEN1 O00255 5/20 0.70
KMT2A Q03164 5/20 0.70
LMNA P02545 4/20 0.70
MAPT P10636 3/20 0.70
CYP1A2 P05177 7/20 0.69
CYP3A4 P08684 7/20 0.69
CYP2D6 P10635 6/20 0.69
HSD17B10 Q99714 5/20 0.69
CYP2C19 P33261 4/20 0.69
TSHR P16473 4/20 0.69
ALOX15 P16050 3/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
ALDH1A1 P00352 2/20 0.69
KDM4E B2RXH2 2/20 0.69
GLA P06280 1/20 0.69
MAPK1 P28482 2/20 0.69
POLB P06746 2/20 0.69
USP2 O75604 4/20 0.64

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
SCHEMBL28805460 0.92 CYP1A2 (0.80) USP1WDR48MEN1KMT2ALMNA
SCHEMBL2583554 0.83 MEN1 (1.00) USP1WDR48MEN1KMT2ALMNA
SCHEMBL1083874 0.82 MAPK1 (1.00) USP1WDR48MEN1KMT2ALMNA
SCHEMBL1084183 0.80 MEN1 (0.89) USP1WDR48MEN1KMT2ALMNA
SCHEMBL12176110 0.80 KMT2A (0.77) MEN1KMT2ALMNAMAPTCYP1A2
SCHEMBL2590855 0.79 RAD52 (0.82) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL3459669 0.79 PDE5A (0.85) USP1WDR48MEN1KMT2ALMNA
SCHEMBL13300124 0.78 CYP1A2 (0.73) USP1WDR48MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL3643618 0.78 MAPT (0.83) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL3782735 0.78 APP (0.81) USP1WDR48MEN1KMT2ALMNA

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
CN-103068393-A Methods and compositions for inhibition of the transitional endoplasmic reticulum atpase CLEAVE BIOSCIENCES INC CLEAVE 2013-04-24 CN disclosed