SCHEMBL7942147

SCHEMBL7942147

Clc1nc(N2CCCCC2)c2ncnc(N3CCCCC3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.45
MAPT P10636 4/20 0.45
LMNA P02545 4/20 0.45
TSHR P16473 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
ALOX15 P16050 2/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
PRNP P04156 1/20 0.45
PPARG P37231 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NR2E3 Q9Y5X4 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
SLC29A1 Q99808 3/20 0.44
JAK2 O60674 1/20 0.43
CHRM4 P08173 3/20 0.43
ADORA3 P0DMS8 3/20 0.43
ADORA2A P29274 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HPGD P15428 4/20 0.43

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
SCHEMBL10502296 0.90 HTT (0.45) HTTMAPTLMNATSHRNPSR1
SCHEMBL8851447 0.90 HTT (0.45) HTTMAPTLMNATSHRNPSR1
SCHEMBL10502124 0.90 HTT (0.45) HTTMAPTLMNATSHRNPSR1
SCHEMBL10971599 0.89 HTT (0.38) HTTMAPTLMNATSHRNPSR1
SCHEMBL11049906 0.89 HTT (0.38) HTTMAPTLMNATSHRNPSR1
SCHEMBL10663514 0.89 HTT (0.38) HTTMAPTLMNATSHRNPSR1
SCHEMBL10503051 0.88 HTT (0.46) HTTMAPTLMNATSHRNPSR1
SCHEMBL5315250 0.87 ALDH1A1 (0.46) MAPTLMNATSHRNPSR1SLC29A1
SCHEMBL10967834 0.87 CHRM4 (0.38) HTTMAPTLMNATSHRNPSR1
SCHEMBL7930957 0.85 ALDH1A1 (0.44) MAPTLMNATSHRNPSR1SLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6297250-B1 USEFUL FOR INHIBITING TRANSPORT OF NUCLEOSIDES OR PURINES ACROSS CELL MEMBRANES, THEREBY TO POTENTIATE THE ACTIVITY OF VARIOUS CYTOTOXIC ANTITUMOR DRUGS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2001-10-02 US disclosed
US-6232312-B1 ADMINISTERING A COMBINATION OF INDENE AND PYRIMIDO(5,4-D)PYRIMIDINE DERIVATIVES TO TREAT PREPANCREATIC CANCER CELL PATHWAYS, INC. 2001-05-15 US disclosed