SCHEMBL7408758

SCHEMBL7408758

NNc1ccccc1-c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.47
PTGS1 P23219 1/20 0.47
STAT3 P40763 1/20 0.44
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
QPCT Q16769 2/20 0.41
NTRK1 P04629 2/20 0.41
ADORA1 P30542 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
TDO2 P48775 1/20 0.40
HTR2C P28335 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NR4A2 P43354 1/20 0.39
HTR7 P34969 1/20 0.39
ALDH1A3 P47895 1/20 0.38
DAPK3 O43293 1/20 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
SCHEMBL3192231 0.82 ALDH1A1 (0.48) PTGS2ALDH1A1LMNAL3MBTL1MAPT
Methane SCHEMBL28503055 0.80 ALDH1A1 (0.46) PTGS2ALDH1A1LMNAL3MBTL1MAPT
Hydrochloric Acid SCHEMBL4377886 0.80 ALDH1A1 (0.46) PTGS2ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL7407881 0.79 LMNA (0.49) ALDH1A1LMNAL3MBTL1MAPTPOLB
SCHEMBL6161641 0.79 STAT3 (0.48) PTGS2PTGS1STAT3SLC6A4SLC6A3
SCHEMBL4719640 0.79 QPCT (0.45) QPCTLMNAMAPTPOLBMAP4K4
SCHEMBL7929011 0.79 KIF11 (0.50) PTGS1NTRK1ALDH1A1LMNAL3MBTL1
Hydrochloric Acid SCHEMBL29106625 0.78 LMNA (0.47) ALDH1A1LMNAL3MBTL1MAPTPOLB
Hydrochloric Acid SCHEMBL28946288 0.78 ALDH1A1 (0.43) SLC6A3ALDH1A1LMNAL3MBTL1MAPT
Hydrochloric Acid SCHEMBL16740576 0.77 STAT3 (0.47) STAT3ALDH1A1L3MBTL1MAPTPOLB

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