SCHEMBL9505790

SCHEMBL9505790

O=Cc1c(-c2cccnc2)n(-c2ccccc2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.49
CYP11B2 P19099 2/20 0.46
MAPT P10636 3/20 0.42
G6PD P11413 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
IL1R1 P14778 1/20 0.41
TBXAS1 P24557 2/20 0.41
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALOX12 P18054 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 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
SCHEMBL6748554 0.86 ALDH1A1 (0.64) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL7811410 0.81 LMNA (0.71) ALDH1A1LMNACYP11B2MAPTTBXAS1
SCHEMBL1606149 0.78 CYP11B2 (0.48) ALDH1A1LMNACYP11B2MAPTMEN1
SCHEMBL28220083 0.77 ALDH1A1 (0.52) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL9509638 0.74 ALDH1A1 (0.52) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL23057379 0.71 L3MBTL1 (0.51) ALDH1A1LMNACYP11B2MAPTMEN1
SCHEMBL28917737 0.71 L3MBTL1 (0.47) ALDH1A1CYP11B2MAPTMEN1KMT2A
SCHEMBL16484609 0.71 CYP2A6 (0.50) ALDH1A1CYP11B2CYP3A4CYP2A6L3MBTL1
SCHEMBL12091849 0.71 AGTR1 (0.53) ALDH1A1CYP11B2MAPTMEN1KMT2A
SCHEMBL9505772 0.70 ALDH1A1 (0.49) ALDH1A1LMNAMAPTMEN1KMT2A

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
EP-0296873-B1 DIRECT POSITIVE DIMETHINE CYANINE DYES CONTAINING 1-ARYL-2-HETEROARYL INDOLE NUCLEUS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-09-08 EP claimed
US-5004812-A Phenyl-pyridyl-indole Intermediates For Desensitizing Dyes E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-04-02 US claimed
EP-0296873-B1 DIRECT POSITIVE DIMETHINE CYANINE DYES CONTAINING 1-ARYL-2-HETEROARYL INDOLE NUCLEUS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-09-08 EP disclosed
US-5004812-A Phenyl-pyridyl-indole Intermediates For Desensitizing Dyes E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-04-02 US disclosed
US-4927933-A PHOTOGRAPHIC FILMS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-05-22 US disclosed
US-4839271-A SENSITIZERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-06-13 US disclosed
EP-0296873-A2 Direct positive dimethine cyanine dyes containing 1-aryl-2-heteroaryl indole nucleus E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-12-28 EP disclosed