SCHEMBL8540211

SCHEMBL8540211

N=C(N)Nc1cccc(C(=C(NC(=O)c2ccccc2)C(=O)O)c2ccccc2NC=O)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.44
SIRT2 Q8IXJ6 3/20 0.44
KDR P35968 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
KCNK3 O14649 4/20 0.39
KCNK9 Q9NPC2 4/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MIF P14174 1/20 0.36
PTGES O14684 1/20 0.36

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
SCHEMBL8544650 0.76 PARP1 (0.42) RAB9AALDH1A1KCNK3KCNK9MEN1
SCHEMBL9304048 0.70 SIRT2 (0.55) RXFP1SIRT2KCNK3KCNK9MEN1
SCHEMBL8538801 0.70 KDR (0.37) RXFP1SIRT2KDRNPC1RAB9A
SCHEMBL8538381 0.70 PARP1 (0.38) RXFP1KDRNPC1RAB9AALDH1A1
SCHEMBL8541181 0.69 SIRT2 (0.52) RXFP1SIRT2ALDH1A1HPGDKCNK3
SCHEMBL8539549 0.69 KDM4E (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL8431259 0.69 RXFP1 (0.43) RXFP1SIRT2NPC1RAB9ASMN1; SMN2
SCHEMBL8542380 0.69 PARP1 (0.37) RXFP1SIRT2KDRNPC1RAB9A
SCHEMBL8541231 0.68 PARP1 (0.40) NPC1RAB9AALDH1A1HPGDKCNK3
SCHEMBL8542589 0.68 KMT2A (0.43) SIRT2NPC1RAB9AALDH1A1KMT2A

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