SCHEMBL9524768

SCHEMBL9524768

COc1ccc2nnc(C(=O)N(C)c3ccccn3)c(O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.40
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
THRB P10828 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 2/20 0.38
RAB9A P51151 2/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CSF1R P07333 2/20 0.37
FFAR1 O14842 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 1/20 0.36

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
SCHEMBL10643357 0.95 POLB (0.39) TRPM8POLBLMNAKDM4ETHRB
SCHEMBL9527710 0.85 KMT2A (0.37) POLBLMNAKDM4ERAB9ASMN1; SMN2
SCHEMBL9524747 0.84 ALDH1A1 (0.37) POLBLMNAKDM4ERAB9ASMN1; SMN2
SCHEMBL9527340 0.84 PYGL (0.40) POLBLMNATHRBCYP1A2SMN1; SMN2
SCHEMBL9527463 0.84 LCK (0.38) POLBNPSR1RAB9AMEN1KMT2A
SCHEMBL9524202 0.77 F2 (0.56) LMNANPSR1RAB9ASMN1; SMN2MEN1
SCHEMBL9524841 0.72 TRPM8 (0.40) TRPM8LMNAKDM4ESMN1; SMN2MEN1
SCHEMBL9410554 0.72 KDM4E (0.44) TRPM8POLBLMNAKDM4ETHRB
SCHEMBL9524233 0.71 DHODH (0.54) POLBLMNARAB9ASMN1; SMN2MEN1
SCHEMBL9523879 0.69 GSK3B (0.53) POLBKDM4ESMN1; SMN2MEN1KMT2A

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
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