SCHEMBL8347573

SCHEMBL8347573

CCC(C1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1)S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 16/20 0.43
TSHR P16473 7/20 0.43
CYP2C9 P11712 7/20 0.43
HIF1A Q16665 1/20 0.43
CYP3A4 P08684 12/20 0.42
CYP1A2 P05177 5/20 0.42
CYP2C19 P33261 5/20 0.42
CYP2D6 P10635 5/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 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
SCHEMBL8350410 0.89 KMT2A (0.38) KMT2A
SCHEMBL8356065 0.87 KMT2A (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8355974 0.87 CA12 (0.42) CYP2C9CYP3A4CYP2C19CYP2D6KMT2A
SCHEMBL8347396 0.87 TACR2 (0.48) CYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL8349962 0.85 TACR2 (0.50) TSHRALDH1A1
SCHEMBL8347206 0.84 TACR2 (0.51)
SCHEMBL8348494 0.84 TACR2 (0.50) USP2TSHRHIF1ACYP3A4CYP1A2
SCHEMBL8351517 0.83 SMN1; SMN2 (0.45) TSHRKMT2ASMN1; SMN2ALDH1A1
SCHEMBL8636699 0.83 SPR (0.40) KMT2A
SCHEMBL8355522 0.81 TACR2 (0.53) ALDH1A1

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-5861416-A TREATMENT OF ASTHMA OR COUGH MERRELL PHARMACEUTICALS INC. (US) 1999-01-19 US disclosed
US-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US disclosed