SCHEMBL28436254

SCHEMBL28436254

CCCCCCCCCCOc1ccc(-c2cc3cc4nc(cc5ccc(cc6nc(cc2[nH]3)C=C6)[nH]5)C=C4)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ XDH P47989 1/20 0.40
▸ CYP2D6 P10635 4/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ CYP19A1 P11511 3/20 0.40
▸ CYP2C9 P11712 3/20 0.40
▸ CYP2C19 P33261 3/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ RARB P10826 3/20 0.39
▸ NR5A1 Q13285 1/20 0.39
▸ PTPN11 Q06124 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HTR2A P28223 2/20 0.38

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
SCHEMBL28493239 1.00 HPGD (0.41) HPGDLMNAPOLBRAB9ASMN1; SMN2
SCHEMBL28839762 0.91 PLA2G2A (0.36) HPGDLMNAPOLBRAB9ASMN1; SMN2
SCHEMBL27914523 0.87 ALDH1A1 (0.41) HPGDLMNAPOLBRAB9ASMN1; SMN2
SCHEMBL28408311 0.87 PLA2G2A (0.36) HPGDLMNAPOLBRAB9ASMN1; SMN2
SCHEMBL28246174 0.86 HPGD (0.42) HPGDLMNAPOLBRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL27856204 0.83 STAT3 (0.50) HPGDLMNAPOLBRAB9ASMN1; SMN2
SCHEMBL28418538 0.81 CNR2 (0.35) SMN1; SMN2
SCHEMBL21523873 0.81 STAT3 (0.53) HPGDLMNAPOLBRAB9ASMN1; SMN2
SCHEMBL29140531 0.81 PDE5A (0.43) LMNACYP3A4HTR2B
SCHEMBL28202581 0.81 STAT3 (0.41) HPGDLMNARAB9ASMN1; SMN2CYP2D6

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-108530609-B Porphyrin polymer and synthesis method thereof, memristor and preparation and application of memristor 南京邮电大学 2020-08-14 — — CN disclosed
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