SCHEMBL4970901

SCHEMBL4970901

Nc1ccc(C(=O)/C=C/c2ccc(/C=C/C(=O)c3ccc(N)cc3)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 2/20 0.82
▸ MAPT P10636 4/20 0.75
▸ LMNA P02545 2/20 0.75
▸ RAB9A P51151 2/20 0.75
▸ MEN1 O00255 1/20 0.75
▸ NPC1 O15118 1/20 0.75
▸ ALDH1A1 P00352 1/20 0.75
▸ NFKB1 P19838 1/20 0.75
▸ HTT P42858 1/20 0.75
▸ NFKB2 Q00653 1/20 0.75
▸ KMT2A Q03164 1/20 0.75
▸ RELA Q04206 1/20 0.75
▸ SMN1; SMN2 Q16637 1/20 0.75
▸ F3 P13726 2/20 0.68
▸ CYP3A4 P08684 4/20 0.68
▸ TNFRSF1A P19438 2/20 0.66
▸ CA1 P00915 2/20 0.64
▸ CA2 P00918 2/20 0.64
▸ KRAS P01116 1/20 0.59
▸ MAOB P27338 3/20 0.59

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
SCHEMBL3003462 1.00 CYP1B1 (0.82) CYP1B1MAPTLMNARAB9AMEN1
SCHEMBL4970910 1.00 CYP1B1 (0.82) CYP1B1MAPTLMNARAB9AMEN1
SCHEMBL3003461 1.00 CYP1B1 (0.82) CYP1B1MAPTLMNARAB9AMEN1
SCHEMBL25192720 0.93 CYP1B1 (0.77) CYP1B1MAPTLMNARAB9AMEN1
SCHEMBL3762443 0.93 F3 (0.82) CYP1B1MAPTLMNARAB9AMEN1
SCHEMBL3762444 0.93 F3 (0.82) CYP1B1MAPTLMNARAB9AMEN1
SCHEMBL25191745 0.93 F3 (0.82) CYP1B1MAPTLMNARAB9AMEN1
SCHEMBL18410015 0.93 CYP1B1 (0.77) CYP1B1MAPTLMNARAB9AMEN1
SCHEMBL14426372 0.93 F3 (0.82) CYP1B1MAPTLMNARAB9AMEN1
SCHEMBL3048575 0.91 ESR1 (0.73) CYP1B1MAPTLMNARAB9AMEN1

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-4670535-A Photosensitive polyimide precursor and process for producing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1987-06-02 — — US claimed
EP-0980016-B1 ALIGNING AGENT FOR LIQUID CRYSTAL NISSAN CHEMICAL IND LTD (JP) 2008-09-24 — — EP disclosed
US-6274695-B1 THIN FILM POLYMER NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-08-14 — — US disclosed
EP-0980016-A1 ALIGNING AGENT FOR LIQUID CRYSTAL Nissan Chemical Industries, Ltd. (JP) 2000-02-16 — — EP disclosed
US-4861854-A P-BIS/2-/3- OR 4-AMINOBENZOYL/VINYL/BENZENE/ MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1989-08-29 — — US disclosed
US-4670535-A Photosensitive polyimide precursor and process for producing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1987-06-02 — — US disclosed
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