SCHEMBL21634393

SCHEMBL21634393

CCCCCCCc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.54
▸ ESR1 P03372 2/20 0.53
▸ ADRA2A P08913 2/20 0.53
▸ ADORA3 P0DMS8 2/20 0.53
▸ TACR2 P21452 2/20 0.53
▸ SLC6A2 P23975 2/20 0.53
▸ SLC6A4 P31645 2/20 0.53
▸ SLC6A3 Q01959 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ SHBG P04278 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ HSPD1 P10809 1/20 0.53
▸ ADRB3 P13945 1/20 0.53
▸ HTR2C P28335 1/20 0.53
▸ HSPE1 P61604 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ TST Q16762 1/20 0.53

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
SCHEMBL11204938 1.00 HTR2A (0.54) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL2493792 1.00 HTR2A (0.54) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL449939 1.00 HTR2A (0.54) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL27480376 1.00 HTR2A (0.54) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL18317068 0.98 TRPV1 (0.53) HTR2AESR1ADRA2AADORA3TACR2
Diphenylamine SCHEMBL27639994 0.94 KCNH2 (0.59) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL2539187 0.92 TRPV1 (0.58) SLC6A2ALDH1A1LMNAHSD17B10PTGS1
SCHEMBL9330410 0.92 ESR1 (0.61) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL284616 0.92 ESR1 (0.61) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL9330419 0.92 ESR1 (0.61) HTR2AESR1ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3830233-A1 STABILIZED COMPOSITIONS COMPRISING LEUCO COMPOUNDS Milliken & Company (US) 2021-06-09 — — EP claimed
WO-2020023897-A1 STABILIZED COMPOSITIONS COMPRISING LEUCO COMPOUNDS MILLIKEN & COMPANY (US) 2020-01-30 — — WO claimed
CN-116218316-B Transparent fireproof paint 广东百安环保新材料有限公司 2024-04-05 — — CN disclosed
CN-116218316-A Transparent fireproof paint 广东百安环保新材料有限公司 2023-06-06 — — CN disclosed
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