SCHEMBL9865971

SCHEMBL9865971

Cc1ccc2c(c1)C1=NN(c3ccc(OC(C)CN(C)C)cc3)C(=O)CC1CS2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.35
KDM4E B2RXH2 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
TOP1 P11387 1/20 0.31
TP53 P04637 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL9602906 0.91 MCHR1 (0.35) MCHR1KDM4ESMN1; SMN2TOP1
SCHEMBL9865991 0.88 CDK4 (0.31) KDM4ESMN1; SMN2MAPTTP53
SCHEMBL10564407 0.83 APP (0.43) KDM4ESMN1; SMN2MAPTTP53LMNA
SCHEMBL9602777 0.81 MCHR1 (0.35) MCHR1TOP1
SCHEMBL9864982 0.79 KDM4E (0.40) KDM4ESMN1; SMN2MAPTLMNAHTT
SCHEMBL10558711 0.79 MAPT (0.43) KDM4ESMN1; SMN2MAPTTP53LMNA
SCHEMBL9866052 0.78 MCHR1 (0.34) MCHR1KDM4ESMN1; SMN2MAPTTOP1
SCHEMBL9868430 0.78 TOP1 (0.35) MCHR1TOP1TP53HTT
SCHEMBL9603121 0.77 CDK4 (0.40) HTT
SCHEMBL9602794 0.77 CHRM2 (0.32) SMN1; SMN2MAPTLMNA

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-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP disclosed