SCHEMBL7412968

SCHEMBL7412968

OC1CCc2[nH]c3c(Cl)cc(Cl)cc3c2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.45
CGAS Q8N884 1/20 0.44
CHEK1 O14757 1/20 0.38
ABL1 P00519 1/20 0.38
MET P08581 1/20 0.38
PIM1 P11309 1/20 0.38
FGFR1 P11362 1/20 0.38
LTK P29376 1/20 0.38
MAPK8 P45983 1/20 0.38
CDK8 P49336 1/20 0.38
GSK3B P49841 1/20 0.38
CDK9 P50750 1/20 0.38
NEK2 P51955 1/20 0.38
ACVR1 Q04771 1/20 0.38
MAP4K2 Q12851 1/20 0.38
PRKAA1 Q13131 1/20 0.38
MAPK14 Q16539 1/20 0.38
CAMK1D Q8IU85 1/20 0.38
AURKB Q96GD4 1/20 0.38
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL7411747 0.82 CGAS (0.41) ARCGASHTR6HTR1B
SCHEMBL7411920 0.79 HTR1A (0.46) ARCGASCHEK1ABL1MET
SCHEMBL7410485 0.77 CGAS (0.42) ARCGASCHEK1ABL1MET
SCHEMBL7415569 0.77 CGAS (0.45) ARCGASCHEK1ABL1MET
SCHEMBL7409510 0.77 SIRT1 (0.55) LMNAMAPTSMN1; SMN2SIRT1HTR1B
SCHEMBL7406537 0.76 CGAS (0.42) ARCGASCHEK1ABL1MET
SCHEMBL7020838 0.74 AR (0.51) ARCGASCHEK1ABL1MET
SCHEMBL7412750 0.72 CGAS (0.44) CGASCHEK1ABL1METPIM1
SCHEMBL11730607 0.70 SIRT1 (0.45) SIRT1HTR6HTR1BKMT2A
SCHEMBL24387629 0.69 TRPV1 (0.35) ARMAPK14ALDH1A1LMNAMAPT

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-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US claimed
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed