SCHEMBL3799530

SCHEMBL3799530

COc1cc2[nH]cnc2c(CCl)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.39
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ QTRT1 Q9BXR0 1/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ ABL1 P00519 1/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ RIN1 Q13671 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ RET P07949 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ QPCTL Q9NXS2 1/20 0.31
▸ PNP P00491 1/20 0.31

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
SCHEMBL3793421 0.85 BRD4 (0.39) BRD4MEN1KMT2AQTRT1MMP12
SCHEMBL13160153 0.80 BRD4 (0.48) BRD4MEN1KMT2AMMP12CTSS
SCHEMBL3801904 0.76 — —
SCHEMBL3802355 0.71 QPCT (0.42) BRD4MEN1KMT2AALDH1A1MAPT
SCHEMBL7345911 0.70 BRD4 (0.44) BRD4MEN1KMT2AMMP12CTSS
SCHEMBL25413219 0.69 BRD4 (0.43) BRD4MEN1KMT2AMMP12CTSS
SCHEMBL25647646 0.69 ABL1 (0.44) BRD4MEN1KMT2AMMP12ABL1
SCHEMBL7343538 0.67 BRD4 (0.48) BRD4MEN1KMT2AMMP12CTSS
SCHEMBL1162204 0.67 MMP12 (0.51) BRD4MMP12RAD52ALDH1A1MAPT
SCHEMBL22685864 0.66 BRD4 (0.43) BRD4MEN1KMT2AMMP12CTSS

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
Send feedback