SCHEMBL7991789

SCHEMBL7991789

CCCCCCc1nc(C(=O)Nc2nccs2)c(-c2ccc(C)cc2)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.43
ADORA2A P29274 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL7991861 1.00 RAB9A (0.48) RAB9ANPC1SMN1; SMN2POLBTSHR
Hydrochloric Acid SCHEMBL7991906 0.99 RAB9A (0.47) RAB9ANPC1SMN1; SMN2POLBTSHR
Hydrochloric Acid SCHEMBL7995684 0.99 RAB9A (0.47) RAB9ANPC1SMN1; SMN2POLBTSHR
SCHEMBL7991774 0.85 RAB9A (0.52) RAB9ANPC1SMN1; SMN2POLBTSHR
Hydrochloric Acid SCHEMBL7995534 0.84 RAB9A (0.51) RAB9ANPC1SMN1; SMN2POLBTSHR
SCHEMBL7988684 0.81 RAB9A (0.59) RAB9ANPC1SMN1; SMN2POLBTSHR
SCHEMBL7977922 0.79 ALDH1A1 (0.42) POLBKMT2AKDM4EALDH1A1
SCHEMBL7995274 0.79 ALDH1A1 (0.42) POLBKMT2AKDM4EALDH1A1
SCHEMBL7992103 0.78 GPR84 (0.43) MEN1KMT2AMAPTALDH1A1
SCHEMBL7992097 0.78 GPR84 (0.43) MEN1KMT2AMAPTALDH1A1

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
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed