SCHEMBL8558972

SCHEMBL8558972

COc1ccc2[nH]cc(C(=O)CCCl)c2c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.82
MEN1 O00255 2/20 0.82
KMT2A Q03164 2/20 0.82
MAPT P10636 2/20 0.82
RAB9A P51151 2/20 0.82
MITF O75030 1/20 0.82
NPSR1 Q6W5P4 1/20 0.82
ALDH1A1 P00352 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
NR4A2 P43354 1/20 0.64
CPT1A P50416 1/20 0.61
IMPDH2 P12268 1/20 0.59
IMPDH1 P20839 1/20 0.59
NPC1 O15118 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KDM4E B2RXH2 3/20 0.55
HSD17B10 Q99714 1/20 0.55
TSHR P16473 1/20 0.55

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
SCHEMBL8556745 0.92 LMNA (0.78) LMNAMEN1KMT2AMAPTRAB9A
SCHEMBL8555897 0.90 LMNA (1.00) LMNAMEN1KMT2AMAPTRAB9A
SCHEMBL10566584 0.86 MEN1 (0.73) LMNAMEN1KMT2AMAPTRAB9A
Hydrochloric Acid SCHEMBL7250644 0.82 LMNA (0.75) LMNAMEN1KMT2AMAPTRAB9A
SCHEMBL11794897 0.81 LMNA (0.74) LMNAMEN1KMT2AMAPTRAB9A
SCHEMBL31201282 0.81 ALDH1A1 (0.77) LMNAMEN1KMT2AMAPTRAB9A
SCHEMBL592889 0.81 NR4A2 (0.77) LMNAMEN1KMT2AMAPTRAB9A
SCHEMBL27908679 0.81 NR4A2 (0.77) LMNAMEN1KMT2AMAPTRAB9A
Acetic Acid SCHEMBL29504710 0.80 MEN1 (0.71) LMNAMEN1KMT2AMAPTRAB9A
SCHEMBL9725707 0.80 LMNA (0.64) LMNAMEN1KMT2AMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0683166-B1 3-Indolylpiperidines MERCK PATENT GMBH (DE) 1998-10-28 EP disclosed
US-5693655-A 3-indolylpiperidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-12-02 US disclosed
EP-0714896-A1 INDOL DERIVATIVES USEFUL FOR THE TREATMENT OF MIGRAINE, COMPOSITION AND UTILIZATION VITA-INVEST, S.A. (ES) 1996-06-05 EP disclosed
EP-0683166-A1 3-Indolylpiperidines MERCK PATENT GmbH (DE) 1995-11-22 EP disclosed