SCHEMBL23913878

SCHEMBL23913878

COc1ccc(C(C)I)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.44
NNMT P40261 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CYP2A6 P11509 2/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HRH1 P35367 1/20 0.39
OXTR P30559 1/20 0.39
OGA O60502 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38

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
SCHEMBL2609318 0.85 OXTR (0.46) CHRNA7NNMTKMT2AMEN1CYP2A6
SCHEMBL1515194 0.82 KMT2A (0.42) CHRNA7NNMTKMT2AMEN1CYP2A6
SCHEMBL17000187 0.82 KMT2A (0.43) CHRNA7NNMTKMT2AMEN1CYP2A6
SCHEMBL29977412 0.82 NNMT (0.46) CHRNA7NNMTKMT2AMEN1CYP2A6
SCHEMBL16510139 0.82 NNMT (0.46) CHRNA7NNMTKMT2AMEN1CYP2A6
SCHEMBL14480182 0.82 NNMT (0.46) CHRNA7NNMTKMT2AMEN1CYP2A6
SCHEMBL16510230 0.82 NNMT (0.42) CHRNA7NNMTKMT2AMEN1CYP2A6
SCHEMBL1581887 0.82 NNMT (0.46) CHRNA7NNMTKMT2AMEN1CYP2A6
SCHEMBL21706084 0.82 NNMT (0.42) CHRNA7NNMTKMT2AMEN1CYP2A6
SCHEMBL29483219 0.82 NNMT (0.46) CHRNA7NNMTKMT2AMEN1CYP2A6

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
EP-3892618-A1 4-PYRIDINYL FORMAMIDE COMPOUND OR DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF Qingdao KingAgroot Chemical Compound Co., Ltd. (CN) 2021-10-13 EP disclosed