SCHEMBL7835501

SCHEMBL7835501

Cc1cn2c(SCCCCCl)cccc2n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.35
MAPT P10636 5/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 2/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TP53 P04637 1/20 0.32
ATM Q13315 1/20 0.32
MAPK1 P28482 1/20 0.31
ALPL P05186 1/20 0.30

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
SCHEMBL9002014 0.81 CYP1A2 (0.35) SMN1; SMN2MAPTRAB9AMEN1NPC1
SCHEMBL7844846 0.75 CDK8 (0.41) SMN1; SMN2ALDH1A1
SCHEMBL7835026 0.75 KMT2A (0.39) SMN1; SMN2MAPTKMT2AHTTALDH1A1
SCHEMBL7846889 0.74 CDK8 (0.40) ALDH1A1
SCHEMBL9002741 0.71 CDK8 (0.41) SMN1; SMN2
SCHEMBL7842363 0.70 SPHK2 (0.36) SMN1; SMN2RAB9AMEN1NPC1KMT2A
SCHEMBL7842360 0.70 SPHK2 (0.36) SMN1; SMN2RAB9AMEN1NPC1KMT2A
Hydrochloric Acid SCHEMBL7871563 0.68 HTT (0.35) SMN1; SMN2MAPTRAB9AMEN1NPC1
SCHEMBL3448499 0.67 PDE10A (0.41) SMN1; SMN2MAPTRAB9AMEN1NPC1
SCHEMBL8811947 0.67 KMT2A (0.39) SMN1; SMN2RAB9ANPC1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767790-B1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 EP disclosed
US-5840732-A ANTIDIABETIC AGENTS, AUTOIMMUNE DISEASES OR IMMUNOSUPPRESSANTS TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 1998-11-24 US disclosed
EP-0767790-A1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-04-16 EP disclosed
WO-1995035296-A1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-28 WO disclosed