SCHEMBL7957597

SCHEMBL7957597

NC(=O)c1cc(-c2cccnc2Cl)n2c1CCCC2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 3/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SYK P43405 1/20 0.35
KCNK3 O14649 1/20 0.35
LMNA P02545 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADRA1D P25100 1/20 0.33
IKBKB O14920 1/20 0.33
DHODH Q02127 1/20 0.33
KDM4E B2RXH2 1/20 0.33
BCL2 P10415 1/20 0.33

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
SCHEMBL7946519 0.86 PLAU (0.41) MAPTGAASYKKCNK3LMNA
SCHEMBL7954859 0.86 MKNK1 (0.43) HPGDSMN1; SMN2MAPTRAB9AGAA
SCHEMBL8329574 0.81 PTPN11 (0.33) SMN1; SMN2MAPTRAB9AALDH1A1LMNA
SCHEMBL7955658 0.79 MEN1 (0.35) HPGDSMN1; SMN2MAPTRAB9AGAA
SCHEMBL7955530 0.77 HPGD (0.39) HPGDSMN1; SMN2MAPTRAB9AGAA
SCHEMBL7946450 0.77 RAB9A (0.36) HPGDSMN1; SMN2MAPTRAB9AGAA
SCHEMBL2157288 0.76 MKNK1 (0.46) GAA
SCHEMBL7592203 0.76 CNR2 (0.37) GAAALDH1A1KDM4E
SCHEMBL7946362 0.75 CDC7 (0.50) GAAIKBKB
SCHEMBL7946357 0.75 HPGD (0.38) HPGDSMN1; SMN2MAPTRAB9AGAA

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-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US disclosed
US-6194426-B1 CONTROLLING TUMOR NECROSIS FACTOR RHONA-POULENC RORER S.A. (FR) 2001-02-27 US disclosed