SCHEMBL9523879

SCHEMBL9523879

COc1ccc2nnc(C(=O)NCc3ccccc3)c(O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.53
HPGDS O60760 1/20 0.53
TACR3 P29371 1/20 0.53
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TP53 P04637 3/20 0.51
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SCD O00767 1/20 0.50
POLB P06746 1/20 0.49
CLK1 P49759 1/20 0.49
MMP13 P45452 1/20 0.48
PTGER4 P35408 1/20 0.47
NPC1 O15118 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL9524617 0.86 SMN1; SMN2 (0.61) GSK3BKDM4EMAPTSMN1; SMN2MMP13
SCHEMBL9524520 0.85 LMNA (0.51) KDM4EMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9527944 0.83 NSD2 (0.50) TACR3KDM4EMEN1KMT2AMAPT
SCHEMBL9524438 0.82 MEN1 (0.50) MEN1KMT2ATP53MMP13
SCHEMBL9525718 0.82 TP53 (0.47) MEN1KMT2ATP53PTGER4
SCHEMBL9524641 0.82 ALDH1A1 (0.45) KMT2AMAPTSMN1; SMN2PTGER4
SCHEMBL9524233 0.82 DHODH (0.54) TACR3MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9524784 0.82 TACR3 (0.46) HPGDSTACR3KDM4EMEN1KMT2A
SCHEMBL9527272 0.81 PTPN1 (0.50) KDM4EMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9525598 0.79 KMT2A (0.49) KDM4EMEN1KMT2AMAPT

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 5 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 claimed
EP-0277791-A2 Cinnoline-carboxamides and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-08-10 EP claimed
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