SCHEMBL9856252

SCHEMBL9856252

CC(C)=CCSc1ccc(S)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 6/20 0.35
ICMT O60725 1/20 0.34
GMNN O75496 1/20 0.34
TRPA1 O75762 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
CDK2 P24941 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NOS1 P29475 1/20 0.32
MTNR1A P48039 1/20 0.30
MTNR1B P49286 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
SCHEMBL9189810 0.82 CA2 (0.41) METAP2ICMTGMNNTRPA1LMNA
SCHEMBL4313725 0.81 ALDH1A1 (0.48) METAP2ICMTGMNNTRPA1LMNA
SCHEMBL5846711 0.80 SMN1; SMN2 (0.44) METAP2ICMTGMNNTRPA1LMNA
SCHEMBL9856231 0.78 CA2 (0.44) METAP2ICMTGMNNTRPA1LMNA
SCHEMBL9856019 0.77 ALDH1A1 (0.35) METAP2ICMTGMNNTRPA1LMNA
SCHEMBL6091563 0.76 METAP2 (0.33) METAP2ICMTGMNNTRPA1LMNA
SCHEMBL21750687 0.73 GAA (0.61) LMNAPOLBCYP3A4MAPTTSHR
SCHEMBL9190384 0.73 HSD17B10 (0.50) LMNAPOLBCYP3A4MAPTTSHR
SCHEMBL5671204 0.72 ALDH1A1 (0.36) TRPA1CYP3A4MAPT
SCHEMBL9856327 0.72 MTNR1A (0.53) LMNACYP1A2CYP3A4MAPTCYP2C9

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-5037991-A Insecticides SANDOZ LTD. (CH) 1991-08-06 US disclosed
US-4968829-A ANTHELMINTICS, PARASITICIDES, NEMATOCIDES SANDOZ LTD. (CH) 1990-11-06 US disclosed