SCHEMBL6161620

SCHEMBL6161620

Cc1ccc(C(=O)NN)c(C)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.56
KDM4E B2RXH2 7/20 0.50
ALDH1A1 P00352 8/20 0.48
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 6/20 0.45
KMT2A Q03164 2/20 0.44
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 1/20 0.43

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
SCHEMBL5034667 0.83 P2RX7 (0.51) P2RX7KDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL3512015 0.81 P2RX7 (0.53) P2RX7KDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL12500156 0.78 NPC1 (0.57) KDM4EALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL161323 0.78 NNMT (0.61) P2RX7KDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL24931102 0.78 KDM4E (0.74) P2RX7KDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL13952836 0.78 GABRP (0.42) ALDH1A1SMN1; SMN2KMT2AGABRPGABRD
SCHEMBL30242327 0.76 SMN1; SMN2 (0.67) P2RX7KDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL24571681 0.76 MEN1 (0.54) KDM4EALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL10650237 0.76 NPC1 (0.45) P2RX7KDM4ESMN1; SMN2GAAKMT2A
SCHEMBL25866684 0.76 SMN1; SMN2 (0.67) P2RX7KDM4EALDH1A1POLBSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3325446-A1 SUBSTITUTED ARYL AND HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS Bayer CropScience Aktiengesellschaft (DE) 2018-05-30 EP disclosed
WO-2017012966-A1 SUBSTITUTED ARYL AND HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-01-26 WO disclosed
EP-1492784-A2 SUBSTITUTED 2,3-DIPHENYL PYRIDINES Merck & Co., Inc. (US) 2005-01-05 EP disclosed
WO-2003082191-A2 SUBSTITUTED 2,3-DIPHENYL PYRIDINES MERCK & CO., INC. (US) 2003-10-09 WO disclosed