SCHEMBL9525671

SCHEMBL9525671

COc1ccc2nnc(C(=O)Nc3cccnc3)c(O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.57
ALDH1A1 P00352 3/20 0.57
KMT2A Q03164 2/20 0.55
POLB P06746 1/20 0.55
KDM4E B2RXH2 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
TSHR P16473 2/20 0.51
MEN1 O00255 1/20 0.49
LRRK2 Q5S007 1/20 0.49
BRAF P15056 1/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
LMNA P02545 2/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL9524233 0.88 DHODH (0.54) RAB9AALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL9524724 0.86 MAPT (0.54) RAB9AALDH1A1KMT2APOLBKDM4E
SCHEMBL9527668 0.83 KCNMA1 (0.58) RAB9AALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL9524171 0.83 MAPT (0.49) RAB9AALDH1A1KMT2APOLBKDM4E
SCHEMBL9524693 0.83 FADS1 (0.58) RAB9AALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL9525647 0.81 RAB9A (0.56) RAB9AALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL9525813 0.81 MEN1 (0.50) RAB9AKMT2APOLBSMN1; SMN2MEN1
SCHEMBL9524202 0.79 F2 (0.56) RAB9AALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL9524714 0.78 NPC1 (0.56) RAB9AALDH1A1KMT2AKDM4EMEN1
SCHEMBL9523496 0.77 FLT3 (0.60) RAB9AALDH1A1KMT2AKDM4ESMN1; 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