SCHEMBL8760585

SCHEMBL8760585

c1ccc(NOc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.38
MMP3 P08254 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP3A4 P08684 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
BCL2L1 Q07817 1/20 0.37
PTPN1 P18031 2/20 0.36
PTPN11 Q06124 1/20 0.36
LSS P48449 1/20 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
SCHEMBL29448429 0.98 CYP1A2 (0.38) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL8896647 0.91 ALDH1A1 (0.41) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL19411968 0.91 ALDH1A1 (0.43) CYP1A2GAACYP2C9CYP2C19ALDH1A1
SCHEMBL29354416 0.88 CYP1A2 (0.52) CYP1A2GAAALDH1A1TDP1MEN1
SCHEMBL29353450 0.88 CYP1A2 (0.49) CYP1A2GAACYP2C9CYP2C19ALDH1A1
SCHEMBL251644 0.85 ALDH1A1 (0.43) CYP1A2CYP2C9CYP2C19ALDH1A1HSD17B10
SCHEMBL29288587 0.84 LTA4H (0.50) ALDH1A1CA1CA2CA9MEN1
SCHEMBL29351769 0.83 NPSR1 (0.43) GAACYP2C19ALDH1A1TDP1MAPK1
SCHEMBL10773638 0.82 ALDH1A1 (0.59) CYP1A2GAACYP2C9CYP2C19ALDH1A1
SCHEMBL1283693 0.80 ALDH1A1 (0.44) GAAALDH1A1TDP1MAPK1MEN1

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
CN-118994001-A NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2024-11-22 CN disclosed
CN-113966324-B NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2024-09-03 CN disclosed
CN-113966324-A NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2022-01-21 CN disclosed
EP-0562824-B1 Thermal recording material FUJI PHOTO FILM CO LTD (JP) 1997-06-11 EP disclosed
US-5464804-A Heat sensitive color layer with electron donor, colorless dye is black color aminofluoran, amino compound and isocyanate compound FUJI PHOTO FILM CO., LTD. (JP) 1995-11-07 US disclosed
US-5288688-A Comprising electron-donating colorless dye, isocyanate and amino compounds; antifogging, discoloration inhibition, storage stability FUJI PHOTO FILM CO., LTD. (JP) 1994-02-22 US disclosed
EP-0562824-A2 Thermal recording material FUJI PHOTO FILM CO., LTD. (JP) 1993-09-29 EP disclosed