SCHEMBL9537729

SCHEMBL9537729

CC1(C)CCCCc2cncnc21

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.34
IDH1 O75874 1/20 0.32

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
SCHEMBL9535936 0.95 IDH1 (0.33) SIGMAR1IDH1
SCHEMBL8215076 0.77 IDH1 (0.32) IDH1
SCHEMBL15492413 0.74 CYP11B2 (0.36) SIGMAR1
SCHEMBL7416538 0.73 SIGMAR1 (0.31) SIGMAR1IDH1
SCHEMBL15492457 0.72 CYP11B2 (0.36) SIGMAR1
SCHEMBL19059004 0.72 HDAC9 (0.36) SIGMAR1
SCHEMBL8084918 0.71 IDH1 (0.37) IDH1
SCHEMBL21983728 0.71 CYP11B2 (0.38) SIGMAR1
SCHEMBL13518217 0.67 CYP19A1 (0.42) IDH1
SCHEMBL19059295 0.67 CYP11B2 (0.36)

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