SCHEMBL11834820

SCHEMBL11834820

CCC(C)CN1SNc2ccccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
RECQL P46063 1/20 0.41
ABCB1 P08183 7/20 0.39
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRM4 Q14833 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
CASP3 P42574 1/20 0.33
GAA P10253 1/20 0.33
FFAR1 O14842 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 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
SCHEMBL6447956 0.79 KDM4E (0.45) KDM4ERECQLHPGDTSHRSMN1; SMN2
SCHEMBL11809766 0.77 KDM4E (0.43) KDM4ERECQLABCB1HPGDSMN1; SMN2
SCHEMBL5407760 0.72 KDM4E (0.51) KDM4ERECQLHPGDLMNAHTT
SCHEMBL11809133 0.70 KDM4E (0.57) KDM4ERECQLABCB1HPGDALDH1A1
SCHEMBL14393320 0.70 ALDH1A1 (0.49) HPGDTSHRALDH1A1TDP1CASP3
SCHEMBL14928649 0.70 ALDH1A1 (0.49) HPGDTSHRALDH1A1TDP1CASP3
SCHEMBL11381204 0.70 KDM4E (0.44) KDM4ERECQLHPGDLMNAHTT
SCHEMBL14928796 0.70 ALDH1A1 (0.49) HPGDTSHRALDH1A1TDP1CASP3
SCHEMBL11804193 0.64 KDM4E (0.73) KDM4ERECQLABCB1HPGDALDH1A1
SCHEMBL11813351 0.62 KDM4E (0.69) KDM4ERECQLABCB1HPGDALDH1A1

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-3997531-A HERBICIDE, PLANT GROWTH REGULATOR BASF AKTIENGESELLSCHAFT (DT) 1976-12-14 US disclosed