SCHEMBL24437513

SCHEMBL24437513

[N-]=[N+]=NCc1ccc(-c2ccc(CN)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.56
▸ TAAR1 Q96RJ0 4/20 0.48
▸ CYP2A6 P11509 1/20 0.39
▸ ADRB2 P07550 1/20 0.38
▸ LOXL2 Q9Y4K0 3/20 0.38
▸ LTA4H P09960 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ ABAT P80404 1/20 0.37
▸ AKT2 P31751 1/20 0.36
▸ S1PR1 P21453 1/20 0.35

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
SCHEMBL16147762 0.94 HRH3 (0.44) HRH3TAAR1LOXL2HDAC3HDAC1
SCHEMBL15233019 0.89 HDAC1 (0.41) HRH3HDAC3HDAC1HDAC2HDAC8
SCHEMBL14189703 0.82 HDAC3 (0.45) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL16639002 0.82 TAAR1 (0.45) TAAR1HDAC3HDAC1HDAC2HDAC8
SCHEMBL17469523 0.80 HDAC3 (0.43) HRH3TAAR1CYP2A6HDAC3HDAC1
SCHEMBL14856430 0.78 HDAC1 (0.36) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL21688339 0.78 HDAC3 (0.37) HRH3TAAR1CYP2A6LOXL2HDAC3
SCHEMBL17804399 0.77 HDAC3 (0.44) HRH3HDAC3HDAC1HDAC2HDAC8
SCHEMBL21527949 0.77 ALDH1A1 (0.32) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL16301233 0.77 TDP1 (0.44) LOXL2HDAC3HDAC1HDAC2HDAC8

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-20220155683-A1 PHOTO-PATTERNABLE CROSS-BRED ORGANIC SEMICONDUCTOR POLYMERS FOR ORGANIC THIN-FILM TRANSISTORS CORNING INCORPORATED 2022-05-19 — — US disclosed
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