SCHEMBL8538586

SCHEMBL8538586

N=C(N)Nc1cc(C(=Cc2ccccc2NC=O)C(=O)O)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.43
P2RX1 P51575 4/20 0.40
TACR1 P25103 2/20 0.36
GPR35 Q9HC97 1/20 0.36
ACP1 P24666 1/20 0.35
PTPN7 P35236 1/20 0.35
PTPN12 Q05209 1/20 0.35
PTPN13 Q12923 1/20 0.35
SSU72 Q9NP77 1/20 0.35
TRPA1 O75762 1/20 0.35
CYP1A2 P05177 1/20 0.35
LMNA P02545 1/20 0.34
PTGS1 P23219 1/20 0.34
RHOC P08134 1/20 0.34
RHOA P61586 1/20 0.34
NNMT P40261 1/20 0.34
P2RX4 Q99571 1/20 0.34
P2RX7 Q99572 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
SCHEMBL8542585 0.91 RXFP1 (0.40) RXFP1P2RX1GPR35LMNARHOC
SCHEMBL8538607 0.88 RXFP1 (0.39) RXFP1P2RX1CYP1A2LMNA
SCHEMBL8539103 0.80 RXFP1 (0.41) RXFP1LMNAPTGS1
SCHEMBL8538381 0.75 PARP1 (0.38) RXFP1
SCHEMBL8538801 0.75 KDR (0.37) RXFP1LMNA
SCHEMBL8542380 0.73 PARP1 (0.37) RXFP1LMNA
SCHEMBL8540539 0.72 PARP1 (0.41)
SCHEMBL6376058 0.72 P2RY14 (0.50) P2RX1TACR1GPR35LMNA
SCHEMBL8536782 0.69 NPC1 (0.37) LMNA
SCHEMBL8701052 0.69 RXFP1 (0.42) RXFP1P2RX1TACR1ACP1PTPN7

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