SCHEMBL30570964

SCHEMBL30570964

CC1Nc2ccccc2NC1C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 5/20 0.50
BRPF1 P55201 1/20 0.50
BRD4 O60885 5/20 0.45
EP300 Q09472 1/20 0.45
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
GFER P55789 1/20 0.43
NOS2 P35228 2/20 0.41
HTR5A P47898 4/20 0.39
PTPN1 P18031 1/20 0.38
IDO1 P14902 1/20 0.36
PARP1 P09874 1/20 0.35
RAB9A P51151 1/20 0.34
NPC1 O15118 1/20 0.33

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
SCHEMBL6587899 1.00 CREBBP (0.50) CREBBPBRPF1BRD4EP300MEN1
SCHEMBL8279432 0.81 CREBBP (0.50) CREBBPBRPF1BRD4EP300MEN1
SCHEMBL17376745 0.80 CREBBP (0.42) CREBBPBRPF1BRD4EP300MEN1
SCHEMBL25506285 0.78 MEN1 (0.47) CREBBPBRPF1BRD4EP300MEN1
SCHEMBL28168173 0.77 CREBBP (0.42) CREBBPBRPF1BRD4EP300MEN1
SCHEMBL27321647 0.77 CREBBP (0.38) CREBBPBRPF1BRD4EP300MEN1
SCHEMBL18269674 0.76 HTR5A (0.41) CREBBPBRPF1BRD4EP300MEN1
SCHEMBL7571638 0.76 HTR5A (0.41) CREBBPBRPF1BRD4EP300MEN1
SCHEMBL172934 0.76 HTR5A (0.41) CREBBPBRPF1BRD4EP300MEN1
SCHEMBL29501187 0.76 HTR5A (0.41) CREBBPBRPF1BRD4EP300MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116751170-A Method for directly preparing semi-hydrogenated nitrogen-containing aromatic heterocyclic compound from sugar 浙江大学 2023-09-15 CN disclosed