SCHEMBL31220218

SCHEMBL31220218

C1=CN(Cc2ccccc2)CC=C1c1ccc(-c2ccc(-c3ccncc3)s2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ P2RX7 Q99572 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ CXCR2 P25025 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ PRKCI P41743 2/20 0.32
▸ ACKR3 P25106 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ HPGD P15428 3/20 0.32
▸ HTT P42858 3/20 0.32
▸ PRF1 P14222 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ HSD17B10 Q99714 2/20 0.32

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
SCHEMBL31220239 0.99 CCNE1 (0.38) CCNE1CDK2ROCK1P2RX7HTR6
SCHEMBL9097301 0.85 P2RX7 (0.41) P2RX7HTR6CYP11B1CYP11B2CCNC
Bromide SCHEMBL29152398 0.83 P2RX7 (0.40) P2RX7HTR6CYP11B1CYP11B2CCNC
Hydrochloric Acid SCHEMBL28357122 0.83 P2RX7 (0.40) P2RX7HTR6CYP11B1CYP11B2CCNC
SCHEMBL31220263 0.81 ROCK1 (0.39) ROCK1CDK8PRKCI
SCHEMBL31220302 0.77 SRPK1 (0.36) P2RX7HTR6CYP11B1CYP11B2CCNC
SCHEMBL31220232 0.77 CCNE1 (0.33) CCNE1CDK2ROCK1P2RX7HTR6
SCHEMBL31220238 0.76 CA1 (0.37) ALDH1A1KDM4E
SCHEMBL27827661 0.74 SIGMAR1 (0.38) CYP11B1CYP11B2ALDH1A1HPGDCYP19A1
Bromide SCHEMBL28711468 0.73 SIGMAR1 (0.37) CYP11B1CYP11B2ALDH1A1HPGDCYP19A1

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
CN-118755010-B Bridged poly viologen electrochromic material and preparation method and application thereof 吉林化工学院 2025-06-03 — — CN disclosed
CN-118755010-A Bridged poly viologen electrochromic material and preparation method and application thereof 吉林化工学院 2024-10-11 — — CN disclosed
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