SCHEMBL9547587

SCHEMBL9547587

NC(=O)N(c1ccc2ccccc2c1)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
ALDH1A1 P00352 4/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 1/20 0.44
F2 P00734 3/20 0.42
PRSS1 P07477 3/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
KLKB1 P03952 1/20 0.42
KLK1 P06870 1/20 0.42
EPHX1 P07099 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
PRSS2 P07478 2/20 0.40

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
SCHEMBL9547516 0.83 NPSR1 (0.54) ESR1ESR2CES2CES1ALDH1A1
SCHEMBL8325081 0.81 ESR1 (0.42) ESR1ESR2CES2CES1ALDH1A1
SCHEMBL651823 0.81 ESR1 (0.42) ESR1ESR2CES2CES1ALDH1A1
SCHEMBL14385153 0.81 PLAU (0.45) ESR1ESR2CES2CES1ALDH1A1
SCHEMBL1176872 0.80 ESR1 (0.49) ESR1ESR2CES2CES1ALDH1A1
SCHEMBL1176870 0.80 ESR1 (0.49) ESR1ESR2CES2CES1ALDH1A1
SCHEMBL10394005 0.80 ALDH1A1 (0.57) ESR1ESR2CES2CES1ALDH1A1
SCHEMBL11496790 0.79 ESR1 (0.49) ESR1ESR2CES2CES1ALDH1A1
SCHEMBL2038478 0.77 ESR1 (0.46) ESR1ESR2CES2CES1ALDH1A1
SCHEMBL21119489 0.77 F2 (0.41) ESR1ESR2CES2CES1ALDH1A1

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 7 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
US-4816070-A PRINTED CIRCUITS, ADHESION TECHO INSTRUMENTS INVESTMENTS LTD. (IL) 1989-03-28 US disclosed
US-4715894-A AMINIMIZATION OF SMEAR TECHNO INSTRUMENTS INVESTMENTS 1983 LTD. (IL) 1987-12-29 US disclosed
US-4657632-A CONTAINING A THIOUREA AND A UREA COMPOUND TECHNO INSTRUMENTS INVESTMENTS 1983 LTD. (IL) 1987-04-14 US disclosed
EP-0216531-A1 Use of immersion tin and tin alloys as a bonding medium for multilayer circuits TECHNO INSTRUMENTS INVESTMENTS 1983 LTD. (IL) 1987-04-01 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