SCHEMBL6201571

SCHEMBL6201571

COc1cc(CCCO)c2ncc(C(=O)NCc3ccc(Cl)cc3)c(O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 3/20 0.43
ALDH1A1 P00352 1/20 0.43
EGLN1 Q9GZT9 3/20 0.42
CNR2 P34972 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
NR3C1 P04150 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
SCHEMBL6201955 0.91 EGLN1 (0.42) SMN1; SMN2EGLN1MEN1KMT2ACYP1A2
SCHEMBL6201118 0.86 EGLN1 (0.44) ALDH1A1EGLN1MEN1KMT2ALMNA
SCHEMBL6196427 0.85 SMN1; SMN2 (0.49) SMN1; SMN2MAPTALDH1A1EGLN1CNR2
SCHEMBL6201569 0.84 KMT2A (0.46) SMN1; SMN2MAPTALDH1A1EGLN1MEN1
SCHEMBL6200422 0.84 SMN1; SMN2 (0.49) SMN1; SMN2MAPTALDH1A1EGLN1CNR2
SCHEMBL6203808 0.84 EGLN1 (0.49) SMN1; SMN2ALDH1A1EGLN1CNR2MEN1
SCHEMBL6199814 0.84 P2RX1 (0.45) MAPTEGLN1CNR2LMNA
SCHEMBL6204166 0.83 EGLN1 (0.43) ALDH1A1EGLN1MEN1KMT2ALMNA
SCHEMBL6201589 0.83 EGLN1 (0.42) ALDH1A1EGLN1MEN1KMT2ALMNA
SCHEMBL6202644 0.82 EGLN1 (0.42) SMN1; SMN2MAPTALDH1A1EGLN1CNR2

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
EP-1042295-B1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2005-09-07 EP claimed