SCHEMBL8538372

SCHEMBL8538372

N=C(N)Nc1cccc(C(=C(C(=O)O)c2cocn2)c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.44
KCNK3 O14649 5/20 0.38
KCNK9 Q9NPC2 4/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 1/20 0.36
PARP1 P09874 4/20 0.36
PARP15 Q460N3 4/20 0.36
PARP10 Q53GL7 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ITK Q08881 1/20 0.35
PARP14 Q460N5 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL8543960 0.78 HDAC3 (0.43) KCNK3KCNK9MEN1KMT2AALDH1A1
SCHEMBL8538376 0.74 F2R (0.38) F2RKCNK3KCNK9MEN1KMT2A
SCHEMBL5354517 0.71 L3MBTL1 (0.60) KCNK3KCNK9MEN1KMT2AALDH1A1
SCHEMBL1185244 0.70 KMT2A (0.58) MEN1KMT2APARP1PARP15PARP10
SCHEMBL8544650 0.69 PARP1 (0.42) KCNK3KCNK9MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL3839558 0.69 KMT2A (0.57) MEN1KMT2APARP1PARP15PARP10
Hydrochloric Acid SCHEMBL29568124 0.69 KMT2A (0.57) MEN1KMT2APARP1PARP15PARP10
SCHEMBL895690 0.69 MEN1 (0.63) MEN1KMT2AALDH1A1PARP1PARP15
SCHEMBL6930688 0.68 KMT2A (0.62) MEN1KMT2AALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL2546537 0.68 MEN1 (0.61) MEN1KMT2AALDH1A1PARP1PARP15

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
US-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US disclosed