SCHEMBL9864707

SCHEMBL9864707

O=C1CC(c2ccc(Cl)cc2)C(=O)N1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.68
MAPT P10636 3/20 0.58
LMNA P02545 2/20 0.58
PKM P14618 1/20 0.58
NPC1 O15118 1/20 0.55
TP53 P04637 3/20 0.52
IDO1 P14902 4/20 0.51
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALPG P10696 1/20 0.47
ALOX12 P18054 1/20 0.47
POLB P06746 1/20 0.47
DDB1 Q16531 3/20 0.46
CRBN Q96SW2 3/20 0.46
GPBAR1 Q8TDU6 1/20 0.45

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
SCHEMBL7827796 0.81 CRBN (0.70) CYP19A1POLBDDB1CRBN
SCHEMBL14264660 0.81 CYP19A1 (0.59) CYP19A1MAPTLMNAPKMNPC1
SCHEMBL21886107 0.81 TP53 (0.50) CYP19A1MAPTLMNAPKMNPC1
SCHEMBL24204350 0.81 CYP19A1 (0.68) CYP19A1MAPTLMNAPKMNPC1
SCHEMBL28509512 0.81 CYP19A1 (0.68) CYP19A1MAPTLMNAPKMNPC1
SCHEMBL3274268 0.81 CYP19A1 (1.00) CYP19A1MAPTLMNAPKMNPC1
SCHEMBL1567424 0.80 DDB1 (0.67) CYP19A1MAPTLMNAPKMNPC1
SCHEMBL8300066 0.80 DDB1 (0.67) CYP19A1MAPTLMNAPKMNPC1
Methane SCHEMBL7953352 0.78 DDB1 (0.65) CYP19A1MAPTLMNAPKMNPC1
SCHEMBL31633556 0.77 DDB1 (0.69) CYP19A1MAPTLMNAPKMNPC1

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-0438240-A2 Imidized segmented copolymers ROHM AND HAAS COMPANY (US) 1991-07-24 EP disclosed