SCHEMBL9345773

SCHEMBL9345773

CC(=O)NC(C#N)c1ccco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
ALOX5 P09917 1/20 0.41
L3MBTL1 Q9Y468 5/20 0.41
POLB P06746 2/20 0.41
PKM P14618 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN7 P35236 1/20 0.41
BLM P54132 1/20 0.41
ESR2 Q92731 1/20 0.41
ALOX12 P18054 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40

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
SCHEMBL9644142 0.81 ALDH1A1 (0.53) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL10922453 0.80 SMN1; SMN2 (0.46) KMT2AALDH1A1MEN1MAPTL3MBTL1
SCHEMBL10921927 0.78 CYP1A2 (0.48) KMT2AALDH1A1MEN1KDM4EL3MBTL1
SCHEMBL17429531 0.77 ALDH1A1 (0.37) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL7736420 0.75 KMT2A (0.51) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL10874073 0.75 L3MBTL1 (0.35) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL10874066 0.75 L3MBTL1 (0.35) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL10924508 0.75 POLB (0.40) KMT2AALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL20734852 0.74 KMT2A (0.35) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL10410589 0.74 LMNA (0.41) KMT2AALDH1A1MEN1MAPTOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5288732-A Fungicides for plants BAYER AKTIENGESELLSCHAFT (DE) 1994-02-22 US disclosed
US-5231109-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1993-07-27 US disclosed
US-4886833-A FUNGICIDES, PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-12-12 US disclosed