SCHEMBL28818314

SCHEMBL28818314

O=C(Cl)Cl.O=C(O)c1cnc2ccccc2c1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.90
▸ CFTR P13569 1/20 0.56
▸ KDR P35968 1/20 0.53
▸ TOP2A P11388 2/20 0.52
▸ TOP2B Q02880 2/20 0.52
▸ BCAT1 P54687 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.51
▸ HPGD P15428 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ RAB9A P51151 3/20 0.50
▸ PSMD14 O00487 1/20 0.50
▸ MAP4K4 O95819 1/20 0.47
▸ CSNK1G2 P78368 1/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.47
▸ MKNK2 Q9HBH9 1/20 0.47
▸ MAP4K5 Q9Y4K4 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ NAPRT Q6XQN6 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
SCHEMBL28048 0.95 MGAM (1.00) MGAMCFTRKDRTOP2ATOP2B
SCHEMBL29362407 0.95 MGAM (1.00) MGAMCFTRKDRTOP2ATOP2B
SCHEMBL27611260 0.93 MGAM (0.96) MGAMCFTRKDRTOP2ATOP2B
SCHEMBL27565246 0.93 MGAM (0.96) MGAMCFTRKDRTOP2ATOP2B
Water SCHEMBL28182355 0.93 MGAM (0.96) MGAMCFTRKDRTOP2ATOP2B
Hydrochloric Acid SCHEMBL1649216 0.93 MGAM (0.96) MGAMCFTRKDRTOP2ATOP2B
Fluoride SCHEMBL27513846 0.93 MGAM (0.96) MGAMCFTRKDRTOP2ATOP2B
Ammonia Solution, Strong SCHEMBL27447121 0.93 MGAM (0.96) MGAMCFTRKDRTOP2ATOP2B
Hydrochloric Acid SCHEMBL9114407 0.93 MGAM (0.96) MGAMCFTRKDRTOP2ATOP2B
Fluoride SCHEMBL27790822 0.93 MGAM (0.96) MGAMCFTRKDRTOP2ATOP2B

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-104865307-A Analysis method for alcohol compound in biological sample UNIV SHANGHAI JIAOTONG 2015-08-26 — — CN disclosed
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