SCHEMBL11330397

SCHEMBL11330397

C=CCCCCSc1ccccc1C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
HTR7 P34969 1/20 0.38
MCHR1 Q99705 1/20 0.38
EPHX2 P34913 1/20 0.37
NPC1 O15118 1/20 0.37
PTGS2 P35354 8/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.35
NOTUM Q6P988 1/20 0.35
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL5170853 0.87 HTR7 (0.46) RAB9ASMN1; SMN2MAPTHTR7MCHR1
SCHEMBL11170872 0.80 HTR7 (0.38) RAB9ASMN1; SMN2MAPTHTR7MCHR1
SCHEMBL12301175 0.79 PTGS2 (0.53) RAB9ASMN1; SMN2MAPTHTR7MCHR1
SCHEMBL29738631 0.78 HTR7 (0.48) RAB9ASMN1; SMN2MAPTHTR7MCHR1
SCHEMBL9770355 0.78 HTR7 (0.48) RAB9ASMN1; SMN2MAPTHTR7MCHR1
SCHEMBL28840959 0.78 RAB9A (0.40) RAB9ASMN1; SMN2MAPTHTR7MCHR1
SCHEMBL5317518 0.78 PTGS2 (0.54) SMN1; SMN2HTR7EPHX2PTGS2
SCHEMBL7264640 0.77 PTGS2 (0.53) RAB9ASMN1; SMN2MAPTHTR7MCHR1
SCHEMBL6057067 0.77 MCHR1 (0.42) RAB9ASMN1; SMN2MAPTHTR7MCHR1
SCHEMBL13162367 0.76 RAB9A (0.42) RAB9ASMN1; SMN2MAPTHTR7MCHR1

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-4260552-A INSECTICIDES, HERBICIDES UNIROYAL, INC. (US) 1981-04-07 US disclosed
US-4160846-A Method for controlling insects with tetrasubstituted organotin compounds UNIROYAL, INC. (US) 1979-07-10 US disclosed