SCHEMBL9547525

SCHEMBL9547525

O=C(Nc1ccccc1)N(c1ccccc1)C1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.66
KCNH2 Q12809 1/20 0.62
HRH3 Q9Y5N1 1/20 0.62
RAB9A P51151 3/20 0.57
ALDH1A1 P00352 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 1/20 0.57
MITF O75030 1/20 0.57
PAX8 Q06710 1/20 0.57
TRPM8 Q7Z2W7 2/20 0.54
HPGD P15428 1/20 0.53
MAPT P10636 1/20 0.51
EPHX2 P34913 2/20 0.50
EPHX1 P07099 2/20 0.50
MCHR1 Q99705 1/20 0.50
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL11422597 0.92 KCNH2 (0.59) ATMKCNH2HRH3RAB9AALDH1A1
SCHEMBL27568150 0.88 KCNH2 (0.60) ATMKCNH2HRH3RAB9AALDH1A1
SCHEMBL14141312 0.85 KCNH2 (0.53) ATMKCNH2HRH3RAB9AALDH1A1
SCHEMBL11738474 0.83 KDM4E (0.59) ATMKCNH2HRH3RAB9AALDH1A1
SCHEMBL28926963 0.83 KDM4E (0.59) ATMKCNH2HRH3RAB9AALDH1A1
SCHEMBL11556038 0.83 KDM4E (0.63) ATMKCNH2HRH3RAB9AALDH1A1
SCHEMBL19027675 0.83 KDM4E (0.59) ATMKCNH2HRH3RAB9AALDH1A1
SCHEMBL10595718 0.82 ATM (0.71) ATMRAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL13801287 0.81 KCNH2 (0.59) ATMKCNH2HRH3MEN1KMT2A
SCHEMBL14037413 0.81 KCNH2 (0.59) ATMKCNH2HRH3ALDH1A1MEN1

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-5194660-A Processes for producing carbamates and isocyanates UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-03-16 US disclosed
EP-0083096-B1 PRODUCTION OF URETHANE COMPOUNDS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1987-02-25 EP disclosed
US-4621149-A PLATINUM GROUP METAL HALOGEN OR HALOGEN COMPOUND ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1986-11-04 US disclosed
EP-0083096-A2 Production of urethane compounds Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-07-06 EP disclosed