SCHEMBL9344875

SCHEMBL9344875

O=S(=O)(NCCN1CCN(CCCOc2ccccc2)CC1)c1cccc2cnccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.56
PRKD3 O94806 3/20 0.54
PRKCG P05129 3/20 0.54
PRKCB P05771 3/20 0.54
PRKCA P17252 3/20 0.54
PRKCH P24723 3/20 0.54
PRKCI P41743 3/20 0.54
PRKCE Q02156 3/20 0.54
PRKCQ Q04759 3/20 0.54
PRKCZ Q05513 3/20 0.54
PRKCD Q05655 3/20 0.54
PRKD1 Q15139 3/20 0.54
PRKACA P17612 3/20 0.54
PRKACG P22612 3/20 0.54
PRKACB P22694 3/20 0.54
MEN1 O00255 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
NFKB1 P19838 2/20 0.54
KMT2A Q03164 2/20 0.54

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
SCHEMBL9345620 0.87 P2RX7 (0.51) P2RX7PRKD3PRKCGPRKCBPRKCA
SCHEMBL9477054 0.87 ADRA1A (0.58) P2RX7PRKD3PRKCGPRKCBPRKCA
Hydrochloric Acid SCHEMBL9345702 0.86 P2RX7 (0.52) P2RX7PRKD3PRKCGPRKCBPRKCA
SCHEMBL9345613 0.85 P2RX7 (0.49) P2RX7PRKD3PRKCGPRKCBPRKCA
SCHEMBL9344869 0.84 P2RX7 (0.48) P2RX7PRKD3PRKCGPRKCBPRKCA
Hydrochloric Acid SCHEMBL9345690 0.84 P2RX7 (0.50) P2RX7PRKD3PRKCGPRKCBPRKCA
SCHEMBL9345607 0.83 HTR7 (0.46) CYP3A4CYP2D6KMT2ATP53THPO
SCHEMBL7325094 0.82 PRKCG (0.65) P2RX7PRKD3PRKCGPRKCBPRKCA
SCHEMBL9349836 0.82 HTR7 (0.51) KMT2AHTR7HTR6HTR1ADRD2
Hydrochloric Acid SCHEMBL9345677 0.82 TSHR (0.44) MEN1CYP3A4CYP2D6KMT2ATP53

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-5326870-A Asthma; bronchodilator agents; respiratory system disorders ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1994-07-05 US disclosed
EP-0525203-A1 SUBSTITUTED SULFONAMIDE DERIVATIVE OR PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1993-02-03 EP disclosed