SCHEMBL9525872

SCHEMBL9525872

O=C(Nc1cc(Cl)cc(Cl)c1)c1nnc2ccc(Cl)cc2c1O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 5/20 0.50
P2RX4 Q99571 3/20 0.50
P2RX7 Q99572 3/20 0.50
TMPRSS4 Q9NRS4 2/20 0.50
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
HIF1A Q16665 2/20 0.40
FADS1 O60427 1/20 0.40
MAPT P10636 4/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
ACP1 P24666 1/20 0.38
KCNMA1 Q12791 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GRM4 Q14833 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL9524620 0.90 P2RX1 (0.52) P2RX1P2RX4P2RX7MEN1KMT2A
SCHEMBL9524344 0.88 TMPRSS4 (0.51) TMPRSS4MEN1KMT2AHIF1ARAB9A
SCHEMBL9523781 0.87 KCNMA1 (0.54) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL9525148 0.86 FADS1 (0.46) P2RX1P2RX4P2RX7TMPRSS4MEN1
SCHEMBL9524408 0.86 P2RX1 (0.53) P2RX1P2RX4P2RX7MEN1KMT2A
SCHEMBL9525061 0.84 RAB9A (0.51) P2RX1P2RX4P2RX7MEN1KMT2A
SCHEMBL9523476 0.83 MAPT (0.47) MEN1KMT2AHIF1AMAPTRAB9A
SCHEMBL9527668 0.83 KCNMA1 (0.58) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL9524888 0.83 MEN1 (0.49) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL9525673 0.80 MAOB (0.50) P2RX1P2RX4P2RX7MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0277791-B1 CINNOLINE-CARBOXAMIDES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1993-06-02 EP disclosed
US-4826837-A IMMUNOMODULATORS FARMITALIA CARLO ERBA S.R.L. (IT) 1989-05-02 US disclosed
EP-0277791-A2 Cinnoline-carboxamides and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-08-10 EP disclosed