SCHEMBL7410085

SCHEMBL7410085

CCOc1ccc2[nH]c3c(c2c1)CC(OS(=O)(=O)c1ccc(C)cc1)CC3

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
RAD52 P43351 1/20 0.49
HTR1D P28221 3/20 0.48
HTR1B P28222 3/20 0.48
MAPT P10636 6/20 0.48
LMNA P02545 5/20 0.48
TP53 P04637 4/20 0.48
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EGFR P00533 1/20 0.41
IGF1R P08069 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
HTR6 P50406 1/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL7402536 0.89 HTR1D (0.57) KMT2AHTR1DHTR1BMAPTLMNA
SCHEMBL7414043 0.88 HTR6 (0.47) KMT2AHTR1DHTR1BMAPTLMNA
SCHEMBL7410787 0.84 HTR2A (0.47) MAPTLMNATP53HTR6
SCHEMBL3800074 0.81 MAPT (0.42) KMT2AHTR1DHTR1BMAPTLMNA
SCHEMBL7403630 0.81 CYP19A1 (0.50) MAPTTP53KDM4EHTR6ALDH1A1
SCHEMBL7407214 0.80 MAPT (0.40) KMT2AHTR1DHTR1BMAPTLMNA
SCHEMBL7412220 0.75 KMT2A (0.60) KMT2ARAD52HTR1DHTR1BMAPT
SCHEMBL7415797 0.74 CYP2D6 (0.40) KMT2AMAPTLMNATP53HTR6
SCHEMBL7463173 0.74 CGAS (0.38) MAPTLMNATP53HTR6
SCHEMBL7457595 0.73 KMT2A (0.58) KMT2ARAD52HTR1DHTR1BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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