SCHEMBL9537257

SCHEMBL9537257

CC1CCCCc2cncnc21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HRH3 Q9Y5N1 2/20 0.32
HRH2 P25021 1/20 0.32
IDH1 O75874 1/20 0.30

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
SCHEMBL9538574 0.95 HRH3 (0.34) SIGMAR1HRH3HRH2IDH1
SCHEMBL10297726 0.87 IDH1 (0.32) IDH1
SCHEMBL21344917 0.73 IDH1 (0.33) IDH1
SCHEMBL12015843 0.73 SIGMAR1 (0.31) SIGMAR1
SCHEMBL13518618 0.72 CHRNB2 (0.30)
SCHEMBL10297582 0.72 CXCR4 (0.32)
SCHEMBL20851246 0.71 HDAC1 (0.40)
SCHEMBL12162482 0.71
SCHEMBL23143489 0.70 AXL (0.31)
SCHEMBL29811179 0.70 AXL (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0337944-B1 UREAS CIBA-GEIGY AG (CH) 1993-07-28 EP disclosed
US-4973690-A PYRIMIDIN-2-YL UREAS, HERBICICES, PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1990-11-27 US disclosed
EP-0337944-A1 Ureas CIBA-GEIGY AG (CH) 1989-10-18 EP disclosed