SCHEMBL9872253

SCHEMBL9872253

CC=NN(c1nc(C)cc(C2CC2)n1)c1ccccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
IGF1R P08069 1/20 0.31

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
SCHEMBL9871760 0.88 MEN1 (0.32)
SCHEMBL9873485 0.86 CRHR1 (0.31)
SCHEMBL9873238 0.80
SCHEMBL9873222 0.80
SCHEMBL9873100 0.77 ALDH1A1 (0.37) ALDH1A1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL9874395 0.76
SCHEMBL11500818 0.73 MEN1 (0.41) ALDH1A1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL9044500 0.72 ADORA2A (0.30) MAPT
SCHEMBL9045189 0.71 ALDH1A1 (0.33) ALDH1A1MAPTPOLB
SCHEMBL9044517 0.71 ADORA2A (0.30) ALDH1A1POLB

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
US-5010082-A Fungicides, microbiocides CIBA-GEIGY CORPORATION (US) 1991-04-23 US claimed
US-5010082-A Fungicides, microbiocides CIBA-GEIGY CORPORATION (US) 1991-04-23 US disclosed