SCHEMBL8538385

SCHEMBL8538385

Cc1ccccc1C(C(=O)O)=C(N)C(=O)c1cccc(NC=NN)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.43
KCNK9 Q9NPC2 2/20 0.43
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
PARP1 P09874 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
MYC P01106 1/20 0.35
LMNA P02545 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
SCHEMBL8538807 0.90 KCNK3 (0.42) KCNK3KCNK9RAB9AALDH1A1MEN1
SCHEMBL8539554 0.88 CA1 (0.38) KCNK3KCNK9RAB9AALDH1A1MEN1
SCHEMBL8540355 0.87 KCNK3 (0.45) KCNK3KCNK9RAB9AALDH1A1MEN1
SCHEMBL8536780 0.87 MEN1 (0.39) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL8542388 0.86 ATIC (0.34) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL8538564 0.85 PARP1 (0.40) KCNK3KCNK9RAB9AALDH1A1MEN1
SCHEMBL8542422 0.85 PARP1 (0.36) KCNK3KCNK9RAB9AALDH1A1MEN1
SCHEMBL8542364 0.81 CES2 (0.47) KCNK3KCNK9RAB9AALDH1A1MEN1
SCHEMBL8540372 0.81 KCNK3 (0.37) KCNK3KCNK9RAB9AALDH1A1MEN1
SCHEMBL8542528 0.81 SMN1; SMN2 (0.34) KCNK3KCNK9RAB9AALDH1A1MEN1

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 claimed