SCHEMBL7438903

SCHEMBL7438903

CCCCSc1ccc(C(C(N)=O)N2CCC(=O)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
XDH P47989 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
THRB P10828 3/20 0.35
THRA P10827 1/20 0.35
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 2/20 0.34
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL7292487 0.87 KDM4E (0.45) MAOAMAOBXDHALDH1A1KDM4E
SCHEMBL7429204 0.81 SPHK1 (0.41) ALDH1A1THRBTHRAHPGD
SCHEMBL7431600 0.80 CHRM2 (0.37) ALDH1A1KDM4EHPGDSMN1; SMN2CHRM2
SCHEMBL7435882 0.77 THRB (0.36) ALDH1A1KDM4ETHRBTHRALMNA
SCHEMBL7435723 0.76 CHRM2 (0.32) LMNAGAASMN1; SMN2CHRM2CHRM1
SCHEMBL7437442 0.76 TSHR (0.45) LMNASMN1; SMN2CHRM2CHRM1
SCHEMBL7434817 0.74 LMNA (0.51) ALDH1A1LMNAGAA
SCHEMBL7426489 0.74 CHRM2 (0.38) ALDH1A1LMNAGAASMN1; SMN2CHRM2
SCHEMBL7288309 0.73 MAOA (0.48) MAOAMAOBXDHALDH1A1THRB
SCHEMBL7431638 0.73 EPHX1 (0.55) LMNACHRM1

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed