SCHEMBL29438465

SCHEMBL29438465

Cc1cccc(N(c2ccc(-c3ccc(N(c4cccc(C)c4)c4ccc5ccccc5c4)cc3)cc2)c2ccc3ccccc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 4/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ CYP1A2 P05177 5/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ NR1I2 O75469 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ CYP51A1 Q16850 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B1 P14061 2/20 0.40
▸ HSD17B2 P37059 2/20 0.40
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37

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
SCHEMBL2246996 1.00 CYP2A6 (0.47) CYP2A6TDP1CYP1A2CYP3A4CYP2C9
SCHEMBL16344226 1.00 CYP2A6 (0.47) CYP2A6TDP1CYP1A2CYP3A4CYP2C9
SCHEMBL29438468 1.00 CYP2A6 (0.47) CYP2A6TDP1CYP1A2CYP3A4CYP2C9
SCHEMBL14673069 1.00 CYP2A6 (0.47) CYP2A6TDP1CYP1A2CYP3A4CYP2C9
SCHEMBL19391487 0.98 TDP1 (0.46) CYP2A6TDP1CYP1A2CYP3A4CYP2C9
SCHEMBL12951309 0.98 TDP1 (0.46) CYP2A6TDP1CYP1A2CYP3A4CYP2C9
SCHEMBL5571565 0.95 CYP2A6 (0.52) CYP2A6TDP1CYP1A2CYP3A4CYP2C9
SCHEMBL13136843 0.95 CYP2A6 (0.52) CYP2A6TDP1CYP1A2CYP3A4CYP2C9
SCHEMBL16627120 0.93 CYP2A6 (0.50) CYP2A6TDP1CYP1A2CYP3A4CYP2C9
SCHEMBL14505881 0.93 CYP2A6 (0.54) CYP2A6TDP1CYP1A2CYP3A4CYP2C9

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
WO-2023075748-A1 PHOTOCONDUCTOR DRUM HAVING A LAYER HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2023-05-04 — — WO disclosed
WO-2022025881-A1 PHOTOSENSITIVE BODY INCLUDING PROTECTIVE LAYER HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2022-02-03 — — WO disclosed
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