SCHEMBL26500187

SCHEMBL26500187

c1ncc(-c2ccc(-c3nc4sc(-c5ccc(-c6cncnc6)s5)nc4s3)s2)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.34
▸ CYP2A6 P11509 12/20 0.34
▸ CYP2C19 P33261 8/20 0.34
▸ CYP2B6 P20813 7/20 0.34
▸ CYP3A4 P08684 7/20 0.34
▸ CYP2C9 P11712 7/20 0.34
▸ CYP2D6 P10635 6/20 0.34
▸ CYP2E1 P05181 6/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ APP P05067 3/20 0.31
▸ MKNK1 Q9BUB5 1/20 0.31
▸ MKNK2 Q9HBH9 1/20 0.31
▸ RIPK2 O43353 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ CYP1A1 P04798 1/20 0.31
▸ CYP2C8 P10632 1/20 0.31
▸ CYP4B1 P13584 1/20 0.31
▸ CYP3A5 P20815 1/20 0.31
▸ CYP2A7 P20853 1/20 0.31
▸ CYP3A7 P24462 1/20 0.31

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
SCHEMBL26500219 0.98 CYP2A6 (0.33) ATMCYP2A6CYP2C19CYP2B6CYP3A4
SCHEMBL25165536 0.81 ATM (0.44) ATMCYP2A6CYP2C19CYP2B6CYP3A4
SCHEMBL26500184 0.78 HDAC3 (0.43) CYP2C19CYP3A4CYP2C9CYP2D6CYP1A2
SCHEMBL26500308 0.78 RIPK2 (0.32) RIPK2ADORA1
SCHEMBL10301434 0.76 HSD17B1 (0.47) CYP2A6CYP2C19CYP2B6CYP3A4CYP2C9
SCHEMBL26500172 0.73 HSD17B1 (0.47) APPESR1ESR2
SCHEMBL26500204 0.72 HSD17B1 (0.46) APPESR1ESR2
SCHEMBL26500175 0.72 HSD17B1 (0.46) CYP2A6CYP2C19CYP2B6CYP3A4CYP2C9
SCHEMBL12951370 0.71 MAPT (0.39) ATMCYP2A6CYP2C19CYP2B6CYP3A4
SCHEMBL26500155 0.70 HSD17B1 (0.39) CYP2A6CYP2C19CYP2B6CYP3A4CYP2C9

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-20230132579-A1 PHOTOELECTRIC CONVERSION ELEMENT, IMAGING ELEMENT, OPTICAL SENSOR, AND COMPOUND FUJIFILM CORPORATION (JP) 2023-05-04 — — US disclosed
US-20230132579-A1 PHOTOELECTRIC CONVERSION ELEMENT, IMAGING ELEMENT, OPTICAL SENSOR, AND COMPOUND FUJIFILM CORPORATION (JP) 2023-05-04 — — US disclosed
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