SCHEMBL9631026

SCHEMBL9631026

CC(=O)Nc1ccc(Cl)c(Cl)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CXCR1 P25024 1/20 0.42
CXCR2 P25025 1/20 0.42
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
PARP14 Q460N5 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
CDC7 O00311 1/20 0.38
PLK4 O00444 1/20 0.38
DYRK3 O43781 1/20 0.38
JAK2 O60674 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
SCHEMBL10767715 0.80 TAS1R3 (0.46) ALDH1A1CXCR1CXCR2KDM4EPOLB
SCHEMBL13414547 0.77 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10POLBMEN1
SCHEMBL11443101 0.75 ALDH1A1 (0.47) ALDH1A1CA1CA2CA9KDM4E
SCHEMBL10479114 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBLMNAMEN1
SCHEMBL13170059 0.73 ALDH1A1 (0.54) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL9658598 0.73 PDK1 (0.62) ALDH1A1CA1CA2CA9CXCR1
SCHEMBL9224065 0.72 RXFP1 (0.49) ALDH1A1CA1CA2CA9CXCR1
SCHEMBL13199450 0.72 AR (0.47) ALDH1A1CXCR1CXCR2KDM4EHPGD
SCHEMBL8558945 0.72 ALDH1A1 (0.47) ALDH1A1CA1CA2CA9KDM4E
SCHEMBL8928864 0.71 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10POLBPARP14

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
EP-0206281-B1 PROCESS FOR CONVERTING CRUDE ISOINDOLINE PIGMENTS INTO A PIGMENTARY FORM BASF Aktiengesellschaft (DE) 1992-05-06 EP disclosed
EP-0206281-A2 Process for converting crude isoindoline pigments into a pigmentary form BASF Aktiengesellschaft (DE) 1986-12-30 EP disclosed