SCHEMBL13160153

SCHEMBL13160153

COc1cc2[nH]cnc2c(C)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.48
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MMP12 P39900 1/20 0.40
▸ ABL1 P00519 1/20 0.38
▸ RAD52 P43351 1/20 0.38
▸ RIN1 Q13671 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ RET P07949 1/20 0.36
▸ PNP P00491 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ PRNP P04156 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ QPCT Q16769 2/20 0.35
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 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
SCHEMBL3799530 0.80 BRD4 (0.39) BRD4MEN1KMT2AMMP12ABL1
SCHEMBL3793421 0.80 BRD4 (0.39) BRD4MEN1KMT2AMMP12ABL1
SCHEMBL3802355 0.78 QPCT (0.42) BRD4MEN1KMT2AALDH1A1MAPT
SCHEMBL7343538 0.78 BRD4 (0.48) BRD4MEN1KMT2AMMP12ABL1
SCHEMBL7345911 0.78 BRD4 (0.44) BRD4MEN1KMT2AMMP12ABL1
SCHEMBL11097769 0.76 MEN1 (0.59) BRD4MEN1KMT2AMMP12PNP
SCHEMBL1162204 0.74 MMP12 (0.51) BRD4MMP12RAD52ALDH1A1MAPT
SCHEMBL25413219 0.73 BRD4 (0.43) BRD4MEN1KMT2AMMP12ABL1
SCHEMBL22685864 0.73 BRD4 (0.43) BRD4MEN1KMT2AMMP12ABL1
SCHEMBL29745481 0.73 BRD4 (0.43) BRD4MEN1KMT2AMMP12ABL1

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-2010117425-A1 CERTAIN SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE BIOGEN IDEC MA INC. (US) 2010-10-14 — — WO disclosed
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