SCHEMBL21799876

SCHEMBL21799876

CCCCCCCCCCNCc1ccc(CN)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.70
HRH3 Q9Y5N1 1/20 0.70
LMNA P02545 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.66
CYP1A2 P05177 3/20 0.64
CYP2D6 P10635 3/20 0.64
CYP2C19 P33261 3/20 0.64
CHRM2 P08172 4/20 0.56
S1PR1 P21453 6/20 0.54
S1PR3 Q99500 6/20 0.54
S1PR2 O95136 5/20 0.54
S1PR4 O95977 3/20 0.54
MAOA P21397 1/20 0.52
LPAR2 Q9HBW0 2/20 0.51
S1PR5 Q9H228 1/20 0.51

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
SCHEMBL21799800 1.00 HRH4 (0.70) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL21799710 1.00 HRH4 (0.70) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL21799810 1.00 HRH4 (0.70) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL21799657 1.00 HRH4 (0.70) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL21799901 1.00 HRH4 (0.70) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL21799885 1.00 HRH4 (0.70) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL21799474 0.98 HRH4 (0.72) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL17715564 0.92 HRH4 (0.63) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL9637156 0.90 HRH4 (0.84) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL10748421 0.90 HRH4 (0.84) HRH4HRH3LMNASMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11124593-B2 Modified block copolymer, method for producing modified block copolymer, and resin composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-09-21 US disclosed
US-20200199282-A1 Modified Block Copolymer, Method for Producing Modified Block Copolymer, and Resin Composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-06-25 US disclosed
EP-3623398-A1 MODIFIED BLOCK COPOLYMER, METHOD FOR PRODUCING MODIFIED BLOCK COPOLYMER, AND RESIN COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2020-03-18 EP disclosed