SCHEMBL9754595

SCHEMBL9754595

COc1cccc(-c2cccs2)c1C=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.67
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TNFRSF1A P19438 5/20 0.45
RPS6KB2 Q9UBS0 2/20 0.43
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 0.42
TUBB2A Q13885 2/20 0.42
TUBB8 Q3ZCM7 2/20 0.42
TUBA3E Q6PEY2 2/20 0.42
TUBA1A Q71U36 2/20 0.42
TUBA1C Q9BQE3 2/20 0.42
TUBB6 Q9BUF5 2/20 0.42
TUBB2B Q9BVA1 2/20 0.42

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
SCHEMBL6040616 0.82 ERN1 (0.60) ERN1NPC1RAB9ASMN1; SMN2TNFRSF1A
SCHEMBL9754612 0.80 ERN1 (0.49) ERN1CYP3A4
SCHEMBL12767019 0.80 ERN1 (1.00) ERN1TNFRSF1ATLR2TLR1TLR6
SCHEMBL1284485 0.79 APP (0.62) ERN1NPC1RAB9ASMN1; SMN2RPS6KB2
SCHEMBL6094048 0.79 ERN1 (0.50) ERN1NPC1RAB9ASMN1; SMN2TNFRSF1A
SCHEMBL28672054 0.78 SMN1; SMN2 (0.49) ERN1NPC1RAB9ASMN1; SMN2TNFRSF1A
SCHEMBL10933267 0.78 RAB9A (0.49) ERN1NPC1RAB9ASMN1; SMN2RPS6KB2
SCHEMBL6536020 0.78 ERN1 (0.47) ERN1SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL6040669 0.77 ERN1 (0.68) ERN1NPC1RAB9ASMN1; SMN2TNFRSF1A
SCHEMBL28992924 0.77 RAB9A (0.51) ERN1NPC1RAB9ASMN1; SMN2RPS6KB2

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
WO-1991013065-A1 6-ARYL-2-SUBSTITUTED BENZOIC ACID HERBICIDES FMC CORPORATION (US) 1991-09-05 WO disclosed