SCHEMBL11514736

SCHEMBL11514736

Cc1ccc2oc(CC#N)nc2c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 3/20 0.32
MAPT P10636 3/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
RAB9A P51151 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
EGFR P00533 1/20 0.31
MAPK1 P28482 1/20 0.31
ELANE P08246 1/20 0.31
CES2 O00748 1/20 0.30
CEPT1 Q9Y6K0 1/20 0.30

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
SCHEMBL11512213 0.80 PIK3CD (0.41) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL11512392 0.75 EGFR (0.33) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL11513437 0.74 TDP1 (0.49) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL11514772 0.73 MEN1 (0.33) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL30890176 0.73 MEN1 (0.33) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6111601 0.73 MAPT (0.39) MEN1KMT2ATSHRKDM4EMAPT
SCHEMBL5540650 0.72 ELANE (0.43) MEN1KMT2ATSHRKDM4EMAPT
SCHEMBL7108396 0.72 ELANE (0.36) MEN1KMT2AKDM4EMAPTNPC1
SCHEMBL11514781 0.72 PSMB8 (0.37) MEN1KMT2AKDM4EMAPTNPC1
SCHEMBL11330662 0.71 GAA (0.36) MEN1KMT2ATSHRMAPTNPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4146712-A PROCESS FOR THE MANUFACTURE OF COUMARIN DYES CIBA-GEIGY CORPORATION (US) 1979-03-27 US disclosed
US-4064136-A FROM A NITRILE, AN ALCOHOL AND ORTHO-SUBSTITUTED AROMATIC AMINE CIBA-GEIGY AG (CH) 1977-12-20 US disclosed