SCHEMBL8538589

SCHEMBL8538589

NN=CNc1cc(C(=O)C(N)=C(C(=O)O)c2ccccc2)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 2/20 0.41
MAPT P10636 2/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.38
KCNK3 O14649 1/20 0.36
TRPA1 O75762 1/20 0.35
CYP1A2 P05177 1/20 0.35
CES2 O00748 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
RHOC P08134 1/20 0.35
RHOA P61586 1/20 0.35
TACR1 P25103 1/20 0.34
KAT6A Q92794 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
GPR35 Q9HC97 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 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
SCHEMBL8538088 0.88 P2RX1 (0.38) P2RX1MAPTAKR1C3AKR1C2KMT2A
SCHEMBL8538615 0.85 RXFP1 (0.40) KCNK3MAOB
SCHEMBL8539554 0.83 CA1 (0.38) MAPTKMT2AKCNK3RAB9ANPC1
SCHEMBL8538094 0.76 CES2 (0.42) MAPTKMT2ALMNAKCNK3CYP1A2
SCHEMBL8538587 0.74 P2RX1 (0.39) P2RX1MAPTAKR1C3AKR1C2KMT2A
SCHEMBL8542422 0.73 PARP1 (0.36) MAPTKMT2AKCNK3RAB9ANPC1
SCHEMBL8538564 0.73 PARP1 (0.40) MAPTKMT2ALMNAKCNK3RAB9A
SCHEMBL8536787 0.73 PARP1 (0.40) MAPTKMT2ALMNAKCNK3RAB9A
SCHEMBL8538385 0.72 KCNK3 (0.43) MAPTKMT2ALMNAKCNK3RAB9A
SCHEMBL8542364 0.72 CES2 (0.47) MAPTKMT2AKCNK3CES2RAB9A

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