SCHEMBL7896868

SCHEMBL7896868

CSC(=NCCc1ccccc1)Nc1ccc(Oc2ccc(NC(=NCCc3ccccc3)SC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 6/20 0.50
HDAC1 Q13547 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 2/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 3/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 2/20 0.43
RECQL P46063 1/20 0.43
NPC1 O15118 2/20 0.43
CRHBP P24387 1/20 0.43
RAB9A P51151 1/20 0.43
CRHR2 Q13324 1/20 0.43
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
RNF4 P78317 1/20 0.41
ALOX12 P18054 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
SCHEMBL9528131 0.88 MAPT (0.45) KMT2AGAASMN1; SMN2LMNARECQL
SCHEMBL7898569 0.88 NPY5R (0.47) NPY5RHDAC1MEN1KMT2APOLB
SCHEMBL7019465 0.80 NPY5R (0.49) NPY5RHDAC1MEN1KMT2APOLB
SCHEMBL9531721 0.80 MAPT (0.44) MEN1KMT2APOLBGAASMN1; SMN2
SCHEMBL8471745 0.75 HPGD (0.49) MEN1KMT2APOLBSMN1; SMN2LMNA
SCHEMBL21675987 0.75 IDO1 (0.51) MEN1KMT2APOLBGAASMN1; SMN2
SCHEMBL11318408 0.73 SCN5A (0.44) GAASMN1; SMN2LMNARECQLNPC1
SCHEMBL11318413 0.73 SCN5A (0.44) GAASMN1; SMN2LMNARECQLNPC1
SCHEMBL25873912 0.71 GRIN1 (0.41) MEN1KMT2AGAASMN1; SMN2LMNA
SCHEMBL17199018 0.69 GAA (0.46) MEN1KMT2AGAASMN1; SMN2LMNA

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
EP-1148048-A2 Polyaromatic antiviral compositions PHARMACIA & UPJOHN COMPANY (US) 2001-10-24 EP disclosed
US-6147116-A TOPICALLY ADMINISTERING BENZENE DERIVATIVE SUBSTITUTED WITH UREIDO-, THIOUREIDO, AND/OR SULFONAMIDO GROUPS TO TREAT HERPES PHARMACIA & UPJOHN COMPANY (US) 2000-11-14 US disclosed
US-5958983-A NOVEL COMPOUNDS HAVING ANTIVIRAL ACTIVITY AGAINST HERPES, TOPICAL ADMINISTRATION THEM TO TREAT PATIENTS WITH HERPES; WORK BY INHIBITING THE INITIATION OF HERPES VIRAL DNA SYNTHESIS IN HOST CELLS PHARMACIA & UPJOHN COMPANY (US) 1999-09-28 US disclosed