SCHEMBL28024426

SCHEMBL28024426

CCCCc1ccc(N2N=C(C=Cc3ccc(OC)cc3OC)CC2c2ccc(OC)cc2OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 8/20 0.43
▸ CA2 P00918 8/20 0.43
▸ ACHE P22303 6/20 0.42
▸ CYP1A1 P04798 11/20 0.41
▸ CYP1B1 Q16678 11/20 0.41
▸ CYP1A2 P05177 11/20 0.41
▸ NFE2L2 Q16236 2/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP2E1 P05181 1/20 0.37
▸ CYP2C8 P10632 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP4B1 P13584 1/20 0.37
▸ CYP2B6 P20813 1/20 0.37
▸ CYP3A5 P20815 1/20 0.37
▸ CYP2A7 P20853 1/20 0.37
▸ CYP3A7 P24462 1/20 0.37
▸ CYP2F1 P24903 1/20 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
SCHEMBL2253241 0.88 CA1 (0.53) CA1CA2ACHECYP1A1CYP1B1
SCHEMBL28024402 0.87 CA1 (0.43) CA1CA2ACHECYP1A1CYP1B1
SCHEMBL2254665 0.84 CA1 (0.52) CA1CA2ACHECYP1A1CYP1B1
SCHEMBL2255613 0.83 CA1 (0.46) CA1CA2ACHECYP1A1CYP1B1
SCHEMBL2255616 0.83 CA1 (0.46) CA1CA2ACHECYP1A1CYP1B1
SCHEMBL28821141 0.80 CA2 (0.40) CA1CA2ACHECYP1A1CYP1B1
SCHEMBL28024391 0.77 PDE5A (0.44) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL28023997 0.76 AHR (0.41) CA1CA2CYP1A1CYP1B1CYP1A2
SCHEMBL28023992 0.76 HCRTR2 (0.36) —
SCHEMBL28024427 0.74 CYP1A2 (0.41) CYP1A1CYP1B1CYP1A2NFE2L2CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104808444-A Photosensitive resin composition, and photosensitive element, resist pattern formation method and printed circuit board production method each utilizing same HITACHI CHEMICAL CO LTD 2015-07-29 — — CN disclosed
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