SCHEMBL20072047

SCHEMBL20072047

c1ccc(-c2ccc3c(c2)N(c2ccc4ccccc4c2)C(C2N(c4ccc5ccccc5c4)c4ccc(-c5ccccc5)cc4N2c2ccc4ccccc4c2)N3c2ccc3ccccc3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
HTR3A P46098 2/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR5A P47898 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
HSP90AA1 P07900 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
CYP19A1 P11511 2/20 0.36

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
SCHEMBL18911784 0.83 HTR1A (0.40) ESR1ESR2HSP90AA1KDM4EALDH1A1
SCHEMBL17786071 0.83 HSP90AA1 (0.46) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL20071842 0.79 CYP1A2 (0.50) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL20071770 0.79 CYP2A6 (0.50) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL18911917 0.79 PTPN5 (0.38) ESR2KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL20071959 0.78 HSP90AA1 (0.40) ESR1ESR2HTR3AHTR3EHTR3B
SCHEMBL20071844 0.77 HTR3A (0.37) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL20072051 0.77 UGT2B7 (0.41) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL20681868 0.77 TSHR (0.37) KDM4ESMN1; SMN2NPC1MAPTRAB9A
SCHEMBL19355007 0.77 RAB9A (0.45) HTR3AHTR3EHTR3BHTR5AHTR3D

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-10541260-B2 Organic photoelectric conversion element, optical area sensor, imaging device, and imaging apparatus CANON KABUSHIKI KAISHA (JP) 2020-01-21 US disclosed
US-20180108691-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, OPTICAL AREA SENSOR, IMAGING DEVICE, AND IMAGING APPARATUS CANON KABUSHIKI KAISHA (JP) 2018-04-19 US disclosed