SCHEMBL10401404

SCHEMBL10401404

CC1=NN(C)C(=O)C1=NOCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40
TUBA1C Q9BQE3 2/20 0.40
TUBB6 Q9BUF5 2/20 0.40
TUBB2B Q9BVA1 2/20 0.40
TUBB1 Q9H4B7 2/20 0.40
IDO1 P14902 2/20 0.36
AGXT P21549 2/20 0.36
GSTP1 P09211 1/20 0.35
PKM P14618 1/20 0.35
CES2 O00748 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
SCHEMBL10401448 0.77 TUBB4A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10401447 0.77 TUBB4A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10637643 0.76 KMT2A (0.47) PKMCES2USP8APP
SCHEMBL10765143 0.69 KMT2A (0.56)
SCHEMBL10719338 0.68 TTR (0.49) IDO1
SCHEMBL24133222 0.65 IDO1 (0.55) IDO1AGXTGSTP1FAAHMGLL
SCHEMBL14074966 0.62 IDO1 (0.55) IDO1AGXTGSTP1S1PR1
SCHEMBL25433947 0.61 USP8 (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL25433943 0.61 USP8 (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL27547291 0.61 AGXT (0.57) IDO1AGXTGSTP1S1PR1

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-4968714-A APPLICATION TO PLANTS, SEEDS, SOILS BAYER AKTIENGESELLSCHAFT (DE) 1990-11-06 US disclosed
EP-0384231-A1 Substituted 3-amino-2-pyrazolin-5-one derivatives, processes for their preparation, and their use for combatting parasites BAYER AG (DE) 1990-08-29 EP disclosed