SCHEMBL7866293

SCHEMBL7866293

CCCn1c(=O)[nH]c(=S)c2[nH]c(-c3ccccc3Br)nc21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 8/20 0.55
ADORA2A P29274 6/20 0.55
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ADORA1 P30542 2/20 0.47
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL7858226 0.88 ADORA2B (0.70) ADORA2BADORA2AKDM4EMEN1ALDH1A1
SCHEMBL7869485 0.81 ADORA2B (0.69) ADORA2BADORA2AKDM4EMEN1ALDH1A1
SCHEMBL7866628 0.78 ADORA2B (0.61) ADORA2BADORA2AKDM4EMEN1ALDH1A1
SCHEMBL5229753 0.75 ADORA2B (0.55) ADORA2BADORA2AKDM4EMEN1ALDH1A1
SCHEMBL9706669 0.73 ADORA2A (0.45) ADORA2BADORA2AHSD17B10ADORA1
SCHEMBL8126893 0.73 ADORA2A (0.49) ADORA2BADORA2A
SCHEMBL7420292 0.72 ADORA1 (0.44) ADORA2BADORA2AHSD17B10ADORA1
SCHEMBL7863965 0.71 ADORA2B (0.58) ADORA2BADORA2AKDM4EALDH1A1CYP1A2
SCHEMBL9765885 0.71 ADORA2B (1.00) ADORA2BADORA2AKDM4EMEN1ALDH1A1
SCHEMBL7680154 0.70 ADORA2A (0.46) ADORA2BADORA2AKDM4EALDH1A1ADORA1

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-6306847-B1 ANTIALLERGENS AND BRONCHODILATOR AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-10-23 US disclosed
EP-0884318-A1 FUSED PURINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1998-12-16 EP disclosed