SCHEMBL29064014

SCHEMBL29064014

c1cnc2nc(-c3nc4ncccc4s3)sc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 2/20 0.46
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 1/20 0.46
HRH3 Q9Y5N1 1/20 0.42
POLB P06746 1/20 0.40
MIF P14174 1/20 0.40
GABRA1 P14867 1/20 0.40
CYP19A1 P11511 2/20 0.39
CRBN Q96SW2 3/20 0.38
LTA4H P09960 3/20 0.38
JAK1 P23458 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
METAP1 P53582 1/20 0.37
DDB1 Q16531 1/20 0.37
LMNA P02545 2/20 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
SCHEMBL5749417 0.86 NPC1 (0.47) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL23458481 0.85 KDM4E (0.59) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL6998682 0.82 KDM4E (0.58) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL12910392 0.82 RAB9A (0.43) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL23172529 0.82 RAB9A (0.40) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL5311147 0.82 APP (0.42) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL15747062 0.82 ALOX5 (0.43) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL23502882 0.80 BCHE (0.39) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL21496679 0.80 HRH3 (0.41) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL14380317 0.79 KDM4E (0.38) KDM4ENPC1RAB9AALDH1A1TP53

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
CN-119019426-A Bipyridophenazine compound, photoelectric device, preparation method and application thereof 天合光能股份有限公司 2024-11-26 CN disclosed
CN-116514903-A Cytotoxic benzodiazepine derivatives 伊缪诺金公司 2023-08-01 CN disclosed