SCHEMBL15166703

SCHEMBL15166703

O=C(O)c1c(Cl)ncnc1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ POLB P06746 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ P2RX3 P56373 2/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HCAR2 Q8TDS4 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL15170453 0.83 P2RX3 (0.42) MEN1KMT2ALMNAP2RX3HDAC8
SCHEMBL16275009 0.82 SMN1; SMN2 (0.49) POLBLMNASMN1; SMN2TSHRNPC1
SCHEMBL15170666 0.76 ALDH1A1 (0.38) MEN1KMT2APOLBLMNASMN1; SMN2
SCHEMBL858572 0.75 MEN1 (0.48) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL2032093 0.74 SMN1; SMN2 (0.43) LMNASMN1; SMN2HCAR2TSHRALDH1A1
Hydrochloric Acid SCHEMBL17713984 0.72 SMN1; SMN2 (0.42) LMNASMN1; SMN2HCAR2TSHRALDH1A1
SCHEMBL28297870 0.72 PTPN1 (0.41) P2RX3TSHR
SCHEMBL1748938 0.71 ALDH1A1 (0.59) MEN1KMT2APOLBLMNASMN1; SMN2
Formaldehyde SCHEMBL27853879 0.70 SMN1; SMN2 (0.41) LMNASMN1; SMN2HCAR2TSHRALDH1A1
Hydrochloric Acid SCHEMBL10559128 0.70 KMO (0.43) MEN1KMT2ALMNATSHRALDH1A1

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
WO-2013115265-A1 HETEROCYCLIC COMPOUND HAVING ANTI-HIV ACTIVITY 富山化学工業株式会社 (JP) 2013-08-08 — — WO disclosed
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