SCHEMBL11368555

SCHEMBL11368555

CN1CCN/C1=N\c1ccc(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.34
LMNA P02545 2/20 0.34
USP2 O75604 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GRM5 P41594 2/20 0.33
GAA P10253 3/20 0.33
MAPK1 P28482 1/20 0.33
P2RX7 Q99572 1/20 0.33
POLB P06746 2/20 0.32
RAB9A P51151 1/20 0.32
HPGD P15428 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL11364497 1.00 PKM (0.37) PKMSMN1; SMN2LMNAUSP2MEN1
SCHEMBL11372617 0.82 NOTUM (0.42) PKMSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11372632 0.82 NOTUM (0.42) PKMSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL10948526 0.82 ITGB3 (0.36) PKMSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL10948533 0.82 ITGB3 (0.36) PKMSMN1; SMN2LMNAMEN1KMT2A
Bromide SCHEMBL10954610 0.81 ITGB3 (0.36) PKMSMN1; SMN2LMNAMEN1KMT2A
Bromide SCHEMBL10954600 0.81 ITGB3 (0.36) PKMSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL11365870 0.80 CRHBP (0.41) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL11365865 0.80 CRHBP (0.41) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL11362034 0.80 MEN1 (0.38) SMN1; SMN2LMNAMEN1KMT2AALDH1A1

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-4262005-A CONTROLLING ECTOPARASITES WHICH ATTACK CATTLE AND PIGS THE BOOTS COMPANY LIMITED (GB) 1981-04-14 US disclosed