SCHEMBL9523535

SCHEMBL9523535

O=C(Nc1cccc(Cl)c1Cl)c1nnc2ccc(Cl)cc2c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
HTT P42858 1/20 0.44
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 1/20 0.42
EPHB3 P54753 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.38
CXCR2 P25025 1/20 0.38
CX3CR1 P49238 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
SCHEMBL9523476 0.90 MAPT (0.47) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL9525596 0.86 POLB (0.50) POLBHTTMEN1KMT2AMAPT
SCHEMBL9524492 0.83 KCNMA1 (0.46) POLBHTTMEN1KMT2AMAPT
SCHEMBL9524620 0.81 P2RX1 (0.52) POLBHTTMEN1KMT2AMAPT
SCHEMBL9524522 0.81 ALDH1A1 (0.51) POLBHTTMEN1KMT2AMAPT
SCHEMBL9524344 0.80 TMPRSS4 (0.51) POLBHTTMEN1KMT2ANPC1
SCHEMBL9524532 0.80 S1PR4 (0.44) POLBHTTMEN1KMT2AMAPT
SCHEMBL9525872 0.79 P2RX1 (0.50) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL9525061 0.79 RAB9A (0.51) POLBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9524888 0.78 MEN1 (0.49) POLBMEN1KMT2AMAPTSMN1; SMN2

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