SCHEMBL9038779

SCHEMBL9038779

O=C1CCCCc2sccc2N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
TSHR P16473 2/20 0.51
CYP2C19 P33261 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HPGD P15428 3/20 0.50
MAPT P10636 3/20 0.44
CRBN Q96SW2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
AHR P35869 1/20 0.35
PDK2 Q15119 1/20 0.35
USP2 O75604 2/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL3048551 0.96 HPGD (0.50) RAB9ATSHRCYP2C19MEN1KMT2A
SCHEMBL31125022 0.88 HPGD (0.53) RAB9ATSHRCYP2C19MEN1KMT2A
SCHEMBL669892 0.77
SCHEMBL4114428 0.71 PNMT (0.38) HPGDMAPTCRBNUSP2FKBP5
SCHEMBL5025454 0.71 NPC1 (0.41) RAB9ATSHRCYP2C19MEN1KMT2A
Hydrochloric Acid SCHEMBL20837912 0.69 PNMT (0.36) MEN1KMT2AHPGDMAPTCRBN
SCHEMBL8337922 0.67 MAPT (0.47) RAB9ATSHRCYP2C19MEN1KMT2A
SCHEMBL1335950 0.67
Hydrochloric Acid SCHEMBL19031573 0.66 HPGD (0.48) HPGDCRBN
SCHEMBL2138422 0.65 MAPT (0.92) RAB9ATSHRCYP2C19MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0465254-B1 Fused thiophene compounds and uses thereof YOSHITOMI PHARMACEUTICAL (JP) 1996-11-13 EP disclosed
US-5141930-A Antianxietic drug, antipsychotics and cardiotonic agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-08-25 US disclosed
EP-0465254-A1 Fused thiophene compounds and uses thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-01-08 EP disclosed