SCHEMBL9515091

SCHEMBL9515091

Cc1nccn1CCc1cc(N)nc(N)n1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ALPL P05186 2/20 0.35
ALPG P10696 2/20 0.35
ALPI P09923 1/20 0.35
PLAA Q9Y263 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL1695647 0.78 TSHR (1.00) TSHRALDH1A1KMT2APOLBCA12
SCHEMBL15867746 0.75 TSHR (0.85) TSHRALDH1A1KMT2APOLBCA12
SCHEMBL2157212 0.73 TSHR (0.82) TSHRALDH1A1KMT2APOLBCA12
SCHEMBL4779659 0.71 ALDH1A1 (0.72) TSHRALDH1A1KMT2APOLBCA12
SCHEMBL1252536 0.70 TSHR (0.81) TSHRALDH1A1KMT2APOLBCA12
SCHEMBL10417628 0.69 ALDH1A1 (0.50) TSHRALDH1A1KMT2APOLB
SCHEMBL20097939 0.68 TSHR (0.71) TSHRALDH1A1KMT2APOLBCA12
SCHEMBL467176 0.68
SCHEMBL25009512 0.67 ALDH1A1 (0.80) TSHRALDH1A1KMT2APOLBCA12
SCHEMBL27090339 0.67 ALDH1A1 (0.80) TSHRALDH1A1KMT2APOLBCA12

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-0366608-B1 Powder coating useful as a mat coating CIBA GEIGY AG (CH) 1993-12-15 EP disclosed
EP-0366608-A2 Powder coating useful as a mat coating CIBA-GEIGY AG (CH) 1990-05-02 EP disclosed