SCHEMBL25252104

SCHEMBL25252104

O=C(Cn1cncn1)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.59
MAPT P10636 2/20 0.59
POLB P06746 2/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
LMNA P02545 3/20 0.45
PKM P14618 1/20 0.45
P2RX7 Q99572 1/20 0.45
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MITF O75030 1/20 0.45
S1PR4 O95977 1/20 0.45
TP53 P04637 1/20 0.45
S1PR1 P21453 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP19A1 P11511 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL7293623 0.95 HTT (0.63) HTTMAPTPOLBHDAC1HDAC6
Hydrochloric Acid SCHEMBL409501 0.94 HTT (0.61) HTTMAPTPOLBHDAC1HDAC6
SCHEMBL11021096 0.93 HTT (0.60) HTTMAPTPOLBHDAC1HDAC6
SCHEMBL407191 0.87 ALDH1A1 (0.55) MAPTLMNAPKMALDH1A1KMT2A
SCHEMBL6558375 0.80 CYP1A2 (0.59) HTTMAPTPOLBHDAC1HDAC6
SCHEMBL673406 0.80 LMNA (0.53) HTTMAPTHDAC1HDAC6LMNA
SCHEMBL412906 0.80 HDAC1 (0.49) HTTMAPTHDAC1HDAC6CYP19A1
SCHEMBL11229076 0.80 HTT (0.53) HTTMAPTPOLBLMNAPKM
SCHEMBL5066568 0.80 CYP19A1 (0.59) MAPTPOLBHDAC1HDAC6ALDH1A1
SCHEMBL3640866 0.79 MAPT (0.49) HTTMAPTPOLBHDAC1HDAC6

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
WO-2023101463-A1 ALGICIDAL COMPOSITION CONTAINING 1-(1-HALOVINYL)ARENE COMPOUND 한국화학연구원 2023-06-08 WO disclosed