SCHEMBL28251876

SCHEMBL28251876

C=C(c1ccccc1)c1cnccn1.c1c[nH]nn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 2/20 0.38
▸ TBXAS1 P24557 2/20 0.38
▸ LMNA P02545 2/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ NAPRT Q6XQN6 1/20 0.37
▸ HCAR2 Q8TDS4 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TSHR P16473 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ HPGD P15428 1/20 0.33

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 0.85 KDM4E (0.48) TBXA2RTBXAS1LMNAKMT2AHSD17B10
SCHEMBL27916776 0.82 MEN1 (0.40) LMNAKMT2AHSD17B10
Naphthalene SCHEMBL27735937 0.77 MEN1 (0.37) KMT2A
SCHEMBL29240842 0.77 KDM4E (0.48) KDM4ENAPRTHCAR2SMN1; SMN2TSHR
SCHEMBL27859643 0.72 KDM4E (0.46) KDM4ENAPRTHCAR2SMN1; SMN2TSHR
SCHEMBL28061261 0.71 KMT2A (0.33) LMNAKMT2ANAPRTTSHRALDH1A1
SCHEMBL27970673 0.71 KMT2A (0.33) LMNAKMT2ANAPRTTSHRALDH1A1
SCHEMBL28016232 0.70 MEN1 (0.32) LMNAKMT2ANAPRTTSHRALDH1A1
Acetophenone SCHEMBL16114519 0.69 SMN1; SMN2 (0.46) LMNAKMT2ASMN1; SMN2TSHRALDH1A1
Niacin SCHEMBL28944221 0.69 ALDH1A1 (0.68) LMNAKMT2AHCAR2ALDH1A1CYP1A2

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-105968114-B A kind of coelenterazine analog and the preparation method and application thereof 山东大学 2018-11-09 — — CN disclosed
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