SCHEMBL29240842

SCHEMBL29240842

C=C(c1ccc(C(=C)c2cnccn2)cc1)c1cnccn1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.48
▸ NAPRT Q6XQN6 1/20 0.48
▸ HCAR2 Q8TDS4 1/20 0.48
▸ TSHR P16473 2/20 0.47
▸ BAZ2B Q9UIF8 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ MC4R P32245 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ MC3R P41968 1/20 0.47
▸ MAPT P10636 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL28091052 0.90 KDM4E (0.48) KDM4ENAPRTHCAR2TSHRBAZ2B
SCHEMBL10495808 0.79 KDM4E (0.49) KDM4ENAPRTHCAR2TSHRBAZ2B
SCHEMBL28251876 0.77 TBXA2R (0.38) KDM4ENAPRTHCAR2TSHRGAA
SCHEMBL12256865 0.75 — —
SCHEMBL30081207 0.74 KDM4E (0.40) KDM4ENAPRTHCAR2TSHRBAZ2B
SCHEMBL31039494 0.73 — —
SCHEMBL3504579 0.73 — —
SCHEMBL18133270 0.73 — —
SCHEMBL18768805 0.73 — —
SCHEMBL1490679 0.73 — —

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-118108951-A Photo-stimulus response cadmium coordination polymer and preparation and application thereof 天津师范大学 2024-05-31 — — CN claimed
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