SCHEMBL15330951

SCHEMBL15330951

O=Cc1c[nH]c2ccc(-c3csc4ccccc34)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 4/20 0.61
▸ CYP2A6 P11509 3/20 0.51
▸ IMPDH2 P12268 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PTP4A3 O75365 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ TDO2 P48775 2/20 0.39
▸ CCNT1 O60563 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ HASPIN Q8TF76 1/20 0.39
▸ PIM1 P11309 2/20 0.38
▸ PIM3 Q86V86 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL18805419 0.76 ERN1 (0.51) ERN1CYP2A6ALDH1A1PTP4A3HDAC2
SCHEMBL2531595 0.76 CYP2A6 (0.61) CYP2A6IMPDH2ALDH1A1CYP1A2CYP2C19
SCHEMBL15330645 0.76 CYP2A6 (0.53) CYP2A6IMPDH2ALDH1A1CYP1A2CYP2C19
SCHEMBL12767810 0.76 ERN1 (1.00) ERN1CYP2A6HDAC2
SCHEMBL15330738 0.76 CYP2A6 (0.53) ERN1CYP2A6IMPDH2ALDH1A1CYP1A2
SCHEMBL15330461 0.76 CYP2A6 (0.53) ERN1CYP2A6IMPDH2ALDH1A1CYP1A2
SCHEMBL15331971 0.74 ERN1 (0.59) ERN1CYP2A6IMPDH2ALDH1A1CYP1A2
SCHEMBL15333332 0.73 HTR1D (0.56) ERN1CYP2A6IMPDH2ALDH1A1CYP1A2
SCHEMBL15330071 0.73 ICMT (0.59) ERN1CYP2A6IMPDH2ALDH1A1CYP1A2
SCHEMBL13129269 0.72 ERN1 (0.56) ERN1CYP2A6HDAC2MAPTMAOB

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 — — US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 — — EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 — — EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 — — US disclosed
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