SCHEMBL9714015

SCHEMBL9714015

O=C(Cn1cncn1)c1ccccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP19A1 P11511 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
CXCR3 P49682 1/20 0.44

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
SCHEMBL2550587 0.84 LMNA (0.67) LMNAPKMMAPTALDH1A1CYP19A1
SCHEMBL6556588 0.83 MEN1 (0.47) LMNAPKMMAPTALDH1A1CYP19A1
SCHEMBL10563462 0.83 KDM4E (0.52) LMNAMAPTCYP19A1MEN1KMT2A
SCHEMBL410471 0.82 LMNA (0.59) LMNAPKMMAPTALDH1A1CYP19A1
SCHEMBL10504893 0.81 LMNA (0.52) LMNAPKMMAPTALDH1A1MEN1
SCHEMBL10470914 0.80 LMNA (0.46) LMNAPKMALDH1A1CYP19A1MEN1
SCHEMBL7893845 0.79 GAA (0.60) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL9808626 0.78 CYP19A1 (0.46) LMNAMAPTCYP19A1MEN1KMT2A
Hydrochloric Acid SCHEMBL9996119 0.78 GAA (0.58) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL5066568 0.78 CYP19A1 (0.59) MAPTALDH1A1CYP19A1MEN1KMT2A

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
WO-1992017474-A1 TRIAZOLE ANTIFUNGAL AGENTS PFIZER LIMITED (GB) 1992-10-15 WO disclosed