SCHEMBL9872347

SCHEMBL9872347

Cc1cc(C2CC2)nc(NN)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.37
MAPT P10636 3/20 0.35
EGFR P00533 1/20 0.34
KDR P35968 1/20 0.34
KDM1A O60341 1/20 0.34
GAA P10253 4/20 0.33
IGF1R P08069 3/20 0.33
HRH4 Q9H3N8 2/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 2/20 0.33
PKM P14618 2/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL21637212 0.78 MAPT (0.41) MAPTGAANPC1HTTLMNA
SCHEMBL18007670 0.77 MAPT (0.44) MAPTGAANPC1HTTLMNA
SCHEMBL949243 0.77 GAA (0.45) AGTR1MAPTGAANPC1LMNA
SCHEMBL8820141 0.76 IGF1R (0.43) MAPTGAAIGF1RPKM
SCHEMBL13033010 0.75 MAPK1 (0.65) GAAHRH4POLBPKM
Cyprodinil SCHEMBL22669 0.75 TAAR1 (0.55) MAPTGAAIGF1RNPC1HTT
SCHEMBL8817791 0.75 HRH4 (0.50) HRH4SMN1; SMN2
SCHEMBL18029725 0.74 LRRK2 (0.33) MAPTHRH4NPC1HTTPOLB
SCHEMBL31453549 0.74 TLR8 (0.47) MAPTGAALMNA
SCHEMBL24288000 0.74 ALDH1A1 (0.38) GAAIGF1RSMN1; SMN2

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 disclosed
EP-0362135-A2 Parasiticide CIBA-GEIGY AG (CH) 1990-04-04 EP disclosed