SCHEMBL11558102

SCHEMBL11558102

CNNC(=N)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 1/20 0.43
NPC1 O15118 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.42
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
HTT P42858 1/20 0.41
SLC6A2 P23975 2/20 0.41
PKM P14618 1/20 0.41
CTSL P07711 1/20 0.41
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
ITGA5 P08648 1/20 0.41
CHRNB1 P11230 1/20 0.41

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
Hydrochloric Acid SCHEMBL10921538 0.83 ALDH1A1 (0.46) PARP1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11559836 0.79 SMN1; SMN2 (0.49) PARP1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL14756573 0.79 ALDH1A1 (0.50) PARP1SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL641112 0.79 PARP1 (0.48) PARP1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2952721 0.77 PARP1 (0.52) PARP1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL12332580 0.76 LMNA (0.45) ALDH1A1RAB9ANPC1KDM4ETSHR
SCHEMBL9558937 0.76 F2 (0.42) SMN1; SMN2MEN1KMT2AALDH1A1RAB9A
SCHEMBL9874864 0.74 NPC1 (0.57) SMN1; SMN2MEN1KMT2AALDH1A1RAB9A
SCHEMBL13478834 0.74 PARP1 (0.52) PARP1SMN1; SMN2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL11553880 0.74 BLM (0.44) SMN1; SMN2MEN1KMT2AALDH1A1RAB9A

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-4151169-A DECYCLIZATION, CYCLIZATION GRUPPO LEPETIT (IT) 1979-04-24 US disclosed
US-4119635-A SEDATIVES, HYPNOTICS, TRANQUILIZERS GRUPPO LEPETIT S.P.A. (IT) 1978-10-10 US disclosed