SCHEMBL29704022

SCHEMBL29704022

Fc1ccc(Br)cc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.55
▸ SLC6A4 P31645 1/20 0.54
▸ MAOB P27338 1/20 0.53
▸ PTGER1 P34995 2/20 0.51
▸ CCR5 P51681 5/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ USP28 Q96RU2 1/20 0.49
▸ USP25 Q9UHP3 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ LRRK2 Q5S007 1/20 0.48
▸ HTT P42858 2/20 0.48
▸ MRGPRX4 Q96LA9 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL15057279 1.00 KDM1A (0.55) KDM1ASLC6A4MAOBPTGER1CCR5
SCHEMBL30739242 0.86 KDM1A (0.55) KDM1ASLC6A4MAOBPTGER1CCR5
SCHEMBL224277 0.86 KDM1A (0.55) KDM1ASLC6A4MAOBPTGER1CCR5
SCHEMBL368071 0.84 SLC6A4 (0.66) SLC6A4MAOBPTGER1CCR5ALDH1A1
SCHEMBL31644088 0.84 SLC6A4 (0.66) SLC6A4MAOBPTGER1CCR5ALDH1A1
SCHEMBL4434864 0.82 SLC6A4 (0.56) SLC6A4MAOBPTGER1CCR5ALDH1A1
SCHEMBL3795791 0.81 KDM1A (0.64) KDM1ASLC6A4MAOBPTGER1CCR5
SCHEMBL9454115 0.81 MRGPRX4 (0.46) KDM1APTGER1CCR5ALDH1A1MRGPRX4
SCHEMBL28399722 0.81 LMNA (0.52) KDM1APTGER1ALDH1A1MRGPRX4
SCHEMBL31166954 0.81 ALOX5 (0.58) MAOBRAB9AMRGPRX4SMN1; SMN2

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-119591604-A JAK inhibitor compounds and uses thereof 迈英诺医药科技(珠海)有限公司 2025-03-11 — — CN disclosed
CN-110573508-B Fused imidazo-piperidine JAK inhibitor compounds 施万生物制药研发IP有限责任公司 2022-07-05 — — CN disclosed
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