SCHEMBL7704442

SCHEMBL7704442

[CH2]OCc1ccc(OC)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.43
APLNR P35414 1/20 0.42
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
IDO1 P14902 2/20 0.41
POLB P06746 1/20 0.40
HTT P42858 1/20 0.39
ESR1 P03372 1/20 0.39
CYP19A1 P11511 1/20 0.39
ESR2 Q92731 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38

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
SCHEMBL7704446 0.84 KMT2A (0.46) ALDH1A1KMT2AAPLNRKDM1AMAOA
SCHEMBL5998551 0.81 APLNR (0.59) ALDH1A1KMT2AAPLNRIDO1MEN1
SCHEMBL31019671 0.81 IDO1 (0.62) ALDH1A1KMT2AAPLNRKDM1AMAOA
SCHEMBL10696244 0.80 APLNR (0.44) ALDH1A1KMT2AAPLNRKDM1AMAOA
SCHEMBL11295684 0.79 GPR84 (0.47) ALDH1A1KMT2AAPLNRKDM1AMAOA
SCHEMBL1145655 0.78 KDM4E (0.42) ALDH1A1KMT2AHTTMEN1GAA
SCHEMBL1690285 0.78 HTT (0.46) ALDH1A1KMT2AAPLNRKDM1AMAOA
SCHEMBL17943052 0.77 ALDH1A1 (0.41) ALDH1A1KMT2AAPLNRKDM1AMAOA
SCHEMBL31167335 0.77 APLNR (0.42) ALDH1A1KMT2AAPLNRKDM1AMAOA
SCHEMBL24411006 0.76 CA12 (0.45) ALDH1A1KMT2AAPLNRKDM1AMAOA

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-6342501-B1 VIRICIDES THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-01-29 US disclosed
WO-2000042043-A1 PYRROLO[2,3-d]PYRIMIDINES AS ANTIVIRAL AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2000-07-20 WO disclosed
EP-0746559-A1 PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES AS ANTIVIRALS The Regents of The University of Michigan (US) 1996-12-11 EP disclosed
US-5543413-A VIRAL ACTIVITY AGAINST HUMAN CYTOMEGALOVIRUS AND HERPES SIMPLEX VIRUS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-08-06 US disclosed
WO-1995023151-A1 PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES AS ANTIVIRALS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1995-08-31 WO disclosed