SCHEMBL7416435

SCHEMBL7416435

CS(=O)(=O)c1ccc2c(c1)c1c(n2CCN2CCCCC2)CCC(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCARB1 Q8WTV0 6/20 0.40
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CYP2D6 P10635 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR6 P50406 1/20 0.34
KCNJ1 P48048 1/20 0.34
KCNH2 Q12809 1/20 0.34
SIRT2 Q8IXJ6 2/20 0.33
PKM P14618 1/20 0.33
PARG Q86W56 1/20 0.32
ADRA1B P35368 1/20 0.32
BCHE P06276 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL7407550 0.75 PKM (0.39) SCARB1ALDH1A1MEN1LMNAKMT2A
SCHEMBL7403922 0.74 SCARB1 (0.48) SCARB1PTGS1PTGS2SIRT2PARG
SCHEMBL7408143 0.74 SCARB1 (0.52) SCARB1PTGS1PTGS2HTR6
SCHEMBL7405351 0.65 PTGDR2 (0.43) ALDH1A1MEN1LMNACYP2D6KMT2A
SCHEMBL2072991 0.61 MAPT (0.59) ALDH1A1MEN1LMNACYP2D6KMT2A
SCHEMBL12496253 0.60 ALDH1A1 (0.46) PTGS2ALDH1A1LMNACYP2D6KMT2A
SCHEMBL15899549 0.59 SCARB1 (0.65) SCARB1PTGS1PTGS2ALDH1A1MEN1
SCHEMBL2266114 0.59 LMNA (0.45) PTGS1PTGS2ALDH1A1MEN1LMNA
SCHEMBL25424268 0.59 PARG (0.47) ALDH1A1MEN1LMNACYP2D6KMT2A
SCHEMBL7414173 0.59 HTR6 (0.50) CYP2D6HTR6KCNH2

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