SCHEMBL9084597

SCHEMBL9084597

NCC(NCc1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.49
ATM Q13315 1/20 0.49
ACP3 P15309 3/20 0.47
TAAR1 Q96RJ0 3/20 0.46
HTR2A P28223 1/20 0.46
MAPT P10636 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
IDO1 P14902 1/20 0.45
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.41
CASR P41180 1/20 0.41
ADRB2 P07550 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
SCHEMBL11659846 0.88 L3MBTL1 (0.50) SMN1; SMN2L3MBTL1ATMTAAR1SIGMAR1
Hydrochloric Acid SCHEMBL11654801 0.86 L3MBTL1 (0.49) SMN1; SMN2L3MBTL1ATMACP3MAPT
SCHEMBL10958186 0.84 ATM (0.47) SMN1; SMN2L3MBTL1ATMTAAR1IDO1
SCHEMBL16031406 0.84 LMNA (0.52) SMN1; SMN2L3MBTL1ATMTAAR1IDO1
SCHEMBL11664032 0.84 IDO1 (0.46) SMN1; SMN2TAAR1IDO1CASRADRB2
SCHEMBL28191143 0.82 L3MBTL1 (0.65) SMN1; SMN2L3MBTL1ATMACP3HTR2A
SCHEMBL17465576 0.82 L3MBTL1 (0.65) SMN1; SMN2L3MBTL1ATMACP3HTR2A
SCHEMBL11635733 0.81 SLC6A2 (0.48) SMN1; SMN2L3MBTL1ATMCYP3A4TSHR
SCHEMBL5049798 0.81 SIGMAR1 (0.49) SMN1; SMN2L3MBTL1ATMTAAR1HTR2A
SCHEMBL4345247 0.80 SMN1; SMN2 (0.61) SMN1; SMN2L3MBTL1ATMACP3MAPT

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 6 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
US-5502174-A Reactive dyestuffs based on a substituted barbituric acid BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed
US-3980659-A INSECTICIDES, INTERMEDIATES FOR AZO DYES CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-09-14 US disclosed
US-3947463-A Certain 2-amino-nicotinonitrile derivatives CASSELLA FARBWERKE MAINKUR AG (DT) 1976-03-30 US disclosed