SCHEMBL9873100

SCHEMBL9873100

CC#Cc1cc(C)nc(N(N=CC)c2ccccc2Cl)n1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
GRM5 P41594 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
SCHEMBL9871785 0.88 MEN1 (0.34) ALDH1A1
SCHEMBL9872253 0.77 ALDH1A1 (0.34) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL11500818 0.73 MEN1 (0.41) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL9873216 0.65 MEN1 (0.35) ALDH1A1
SCHEMBL9871760 0.64 MEN1 (0.32)
SCHEMBL9873485 0.63 CRHR1 (0.31)
SCHEMBL9873093 0.60 MEN1 (0.44) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL9873095 0.60 MEN1 (0.44) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL11500135 0.59 ALDH1A1 (0.33) ALDH1A1KDM4E
SCHEMBL11251370 0.59 ALDH1A1 (0.33) ALDH1A1KDM4E

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

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