SCHEMBL21834524

SCHEMBL21834524

O=C(c1ccccn1)c1cnc2ccccc2n1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.66
▸ ALDH1A1 P00352 2/20 0.61
▸ HPGD P15428 1/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ KMT2A Q03164 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CES2 O00748 1/20 0.50
▸ CES1 P23141 1/20 0.50
▸ PTK2 Q05397 1/20 0.50
▸ RAB9A P51151 2/20 0.49
▸ LMNA P02545 1/20 0.48
▸ NAPRT Q6XQN6 1/20 0.48
▸ P4HTM Q9NXG6 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ POLB P06746 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
SCHEMBL27347353 0.89 ALDH1A1 (0.74) KDM4EALDH1A1HPGDALOX15HSD17B10
SCHEMBL31369148 0.81 KMT2A (0.75) KDM4EALDH1A1KMT2ASMN1; SMN2CES2
SCHEMBL87791 0.81 KMT2A (0.75) KDM4EALDH1A1KMT2ASMN1; SMN2CES2
SCHEMBL13475582 0.79 KDM4E (1.00) KDM4EALDH1A1KMT2ASMN1; SMN2CES2
Charcoal, Activated SCHEMBL8358164 0.79 KMT2A (0.72) KDM4EALDH1A1KMT2ASMN1; SMN2CES2
Water SCHEMBL6228901 0.79 KMT2A (0.72) KDM4EALDH1A1KMT2ASMN1; SMN2CES2
SCHEMBL31369119 0.79 KMT2A (0.72) KDM4EALDH1A1KMT2ASMN1; SMN2CES2
Hydrochloric Acid SCHEMBL27723543 0.79 KMT2A (0.72) KDM4EALDH1A1KMT2ASMN1; SMN2CES2
SCHEMBL10435349 0.79 ALDH1A1 (0.70) KDM4EALDH1A1HPGDALOX15HSD17B10
SCHEMBL6115219 0.77 KDM4E (0.68) KDM4EALDH1A1ALOX15KMT2ACES2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114437159-A Cyclic carbonate nucleoside compound and application thereof 佛山市晨康生物科技有限公司 2022-05-06 — — CN disclosed
EP-3856178-A1 MONOACYLGLYCEROL LIPASE MODULATORS Janssen Pharmaceutica NV (BE) 2021-08-04 — — EP disclosed
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 — — WO disclosed
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