SCHEMBL28091052

SCHEMBL28091052

C=C(c1ccccc1)c1cnccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.48
▸ NAPRT Q6XQN6 1/20 0.48
▸ HCAR2 Q8TDS4 1/20 0.48
▸ TBXA2R P21731 2/20 0.43
▸ TBXAS1 P24557 2/20 0.43
▸ TSHR P16473 4/20 0.42
▸ BAZ2B Q9UIF8 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ MC4R P32245 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ MC3R P41968 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MCL1 Q07820 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41

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
SCHEMBL29240842 0.90 KDM4E (0.48) KDM4ENAPRTHCAR2TSHRBAZ2B
SCHEMBL28251876 0.85 TBXA2R (0.38) KDM4ENAPRTHCAR2TBXA2RTBXAS1
SCHEMBL10824241 0.78 KMT2A (0.59) KDM4ENAPRTALDH1A1KMT2ALMNA
SCHEMBL30593013 0.77 KMT2A (0.63) KDM4ENAPRTHCAR2TBXA2RTBXAS1
SCHEMBL4019791 0.77 KMT2A (0.63) KDM4ENAPRTHCAR2TBXA2RTBXAS1
Pyrazine SCHEMBL27427242 0.77 MEN1 (0.50) NAPRTHCAR2TSHRALDH1A1KMT2A
SCHEMBL5698579 0.76 HCAR2 (0.57) KDM4ENAPRTHCAR2TBXA2RTBXAS1
SCHEMBL12256865 0.74 — —
SCHEMBL14147074 0.74 TBXA2R (0.53) KDM4ENAPRTHCAR2TBXA2RTBXAS1
SCHEMBL11158089 0.74 TBXA2R (0.53) KDM4ENAPRTHCAR2TBXA2RTBXAS1

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 5 patents. 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
CN-118108951-A Photo-stimulus response cadmium coordination polymer and preparation and application thereof 天津师范大学 2024-05-31 — — CN disclosed
CN-118108951-A Photo-stimulus response cadmium coordination polymer and preparation and application thereof 天津师范大学 2024-05-31 — — CN disclosed
CN-105968114-B A kind of coelenterazine analog and the preparation method and application thereof 山东大学 2018-11-09 — — CN disclosed
CN-105968114-A Coelenterazine analog and preparing method and application thereof 山东大学 2016-09-28 — — CN disclosed
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