SCHEMBL6788796

SCHEMBL6788796

COC1=NC(C)=C(C(=O)OCc2ccccc2)C(c2ccc3c(c2)OCO3)N1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 4/20 0.53
LMNA P02545 2/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 1/20 0.51
TSHR P16473 4/20 0.48
PKM P14618 2/20 0.48
GAA P10253 1/20 0.48
BLM P54132 1/20 0.48
MEN1 O00255 2/20 0.47
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL6791270 0.84 GAA (0.49) ALDH1A1KMT2AKDM4ETSHRPKM
SCHEMBL7989773 0.73 GAA (0.46) ALDH1A1KMT2AKDM4ETSHRPKM
SCHEMBL6195857 0.73 TSHR (0.46) ALDH1A1KMT2AKDM4ETSHRPKM
SCHEMBL6199413 0.73 PKM (0.52) ALDH1A1KMT2AKDM4ETSHRPKM
SCHEMBL3941483 0.72 HTT (0.68) HTTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL6787045 0.71 HTT (0.42) HTTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL3320723 0.70 ALDH1A1 (0.55) HTTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL16457993 0.69 HTT (1.00) HTTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL6200462 0.69 GAA (0.39) HTTALDH1A1LMNAKMT2AGAA
SCHEMBL3942601 0.69 HTT (0.56) HTTSMN1; SMN2ALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6727257-B1 HYPOTENSIVE AGENTS FOR INTRAOCULAR PRESSURE; ANTICHOLESTEROL AGENTS; RELAXING URINARY TRACT TISSUE; BENIGN PROSTATIC HYPERPLASIA, IMPOTENCY, AND CARDIOVASCULAR DISORDERS; ANTIARRHYTHMIA AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 US disclosed
US-6268369-B1 ALPHA SUB 1 INHIBITORS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-07-31 US disclosed
US-6248747-B1 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA WITH ANTAGONISTS SELECTIVE FOR CLONED HUMAN ALPHA-1C RECEPTORS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-06-19 US disclosed
US-5942517-A ANTAGONIST OF ALPHA(1C) RECEPTORS; TREATMENT OF BENIGN PROSTATIC HYPERPLASIA SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1999-08-24 US disclosed
WO-1996014846-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-05-23 WO disclosed