SCHEMBL6999958

SCHEMBL6999958

Cn1c2cc(Cl)ccc2c2c(C(=O)N3CCCC3)nn(-c3cccc(Cl)c3)c(=O)c21

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
TSHR P16473 4/20 0.52
HSD17B10 Q99714 4/20 0.52
KMT2A Q03164 2/20 0.52
TP53 P04637 3/20 0.52
HPGD P15428 4/20 0.51
ALOX15 P16050 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
GAA P10253 2/20 0.50
POLB P06746 3/20 0.49
LMNA P02545 1/20 0.46
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL7632686 0.95 TSPO (0.59) TSPOSMN1; SMN2TSHRHSD17B10KMT2A
SCHEMBL6703839 0.93 SMN1; SMN2 (0.54) TSPOSMN1; SMN2TSHRHSD17B10KMT2A
SCHEMBL7627910 0.92 SMN1; SMN2 (0.52) TSPOSMN1; SMN2TSHRHSD17B10KMT2A
SCHEMBL3920709 0.90 SMN1; SMN2 (0.50) TSPOSMN1; SMN2TSHRHSD17B10KMT2A
SCHEMBL5785462 0.90 TSPO (0.50) TSPOSMN1; SMN2TSHRHSD17B10KMT2A
SCHEMBL3919188 0.90 SMN1; SMN2 (0.49) TSPOSMN1; SMN2TSHRHSD17B10KMT2A
Hydrochloric Acid SCHEMBL3923392 0.89 TSPO (0.49) TSPOSMN1; SMN2TSHRHSD17B10KMT2A
SCHEMBL3921258 0.88 SMN1; SMN2 (0.49) TSPOSMN1; SMN2TSHRHSD17B10KMT2A
SCHEMBL7001447 0.86 TSPO (0.62) TSPOTP53POLBMAPTKDM4E
SCHEMBL5786359 0.84 SMN1; SMN2 (0.50) TSPOSMN1; SMN2TSHRHSD17B10KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6451795-B1 CENTRAL NEURODEGENERATIVE DISEASES SANOFI-SYNTHELABO (FR) 2002-09-17 US claimed
EP-1149101-B1 4-OXO-3,5-DIHYDRO-4$i(H)-PYRIDAZINO 4,5-$i(b)]INDOLE-1-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE SANOFI SYNTHELABO (FR) 2003-04-09 EP disclosed
US-6451795-B1 CENTRAL NEURODEGENERATIVE DISEASES SANOFI-SYNTHELABO (FR) 2002-09-17 US disclosed