SCHEMBL23954341

SCHEMBL23954341

c1ccc(-c2nc3cc4sc(-c5ccccn5)nc4cc3s2)nc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.77
NPC1 O15118 5/20 0.77
RAB9A P51151 4/20 0.77
ALDH1A1 P00352 2/20 0.77
TP53 P04637 2/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
TSHR P16473 1/20 0.77
HSD17B10 Q99714 1/20 0.77
MIF P14174 1/20 0.57
GABRA1 P14867 1/20 0.57
MAPT P10636 2/20 0.55
ATM Q13315 1/20 0.55
PIK3CD O00329 1/20 0.50
PIK3CA P42336 1/20 0.50
PI4KA P42356 1/20 0.50
PIK3CG P48736 1/20 0.50
PI4KB Q9UBF8 1/20 0.50
GLA P06280 1/20 0.48
CYP19A1 P11511 2/20 0.47
CCR1 P32246 3/20 0.46

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
SCHEMBL221431 0.87 NPC1 (1.00) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL29081219 0.85 KDM4E (0.66) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL8040079 0.85 KDM4E (0.66) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL3207351 0.85 NPC1 (0.66) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL11778608 0.84 KDM4E (0.69) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL14035856 0.84 RAB9A (0.69) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL8050339 0.81 RAB9A (0.60) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL19270281 0.81 KDM4E (0.52) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL16203583 0.80 KDM4E (0.55) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL6840221 0.80 KDM4E (0.68) 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
US-20230050869-A1 THERMOELECTRIC CONVERSION MATERIAL, AND THERMOELECTRIC CONVERSION ELEMENT PREPARED THEREWITH TOYO INK SC HOLDINGS CO., LTD. (JP) 2023-02-16 US disclosed
EP-3902021-A1 THERMOELECTRIC CONVERSION MATERIAL, AND THERMOELECTRIC CONVERSION ELEMENT PREPARED THEREWITH Toyo Ink SC Holdings Co., Ltd. (JP) 2021-10-27 EP disclosed