SCHEMBL15330461

SCHEMBL15330461

O=Cc1c[nH]c2ccc(-c3ccccc3F)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.53
▸ IMPDH2 P12268 1/20 0.53
▸ PIM1 P11309 8/20 0.52
▸ PIM3 Q86V86 8/20 0.52
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ TNKS O95271 1/20 0.47
▸ TNKS2 Q9H2K2 1/20 0.47
▸ PIM2 Q9P1W9 4/20 0.45
▸ TRPA1 O75762 1/20 0.43
▸ ERN1 O75460 1/20 0.42
▸ PTPRC P08575 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ CCNT1 O60563 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ HASPIN Q8TF76 1/20 0.42
▸ FEN1 P39748 1/20 0.42
▸ PGR P06401 1/20 0.40

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
SCHEMBL2560135 0.89 TNKS (0.53) CYP2A6IMPDH2PIM1PIM3ALDH1A1
SCHEMBL15330645 0.83 CYP2A6 (0.53) CYP2A6IMPDH2PIM1PIM3ALDH1A1
SCHEMBL15330738 0.83 CYP2A6 (0.53) CYP2A6IMPDH2PIM1PIM3ALDH1A1
SCHEMBL2531595 0.80 CYP2A6 (0.61) CYP2A6IMPDH2PIM1PIM3ALDH1A1
SCHEMBL15330071 0.80 ICMT (0.59) CYP2A6IMPDH2PIM1PIM3ALDH1A1
SCHEMBL2535403 0.79 PIM1 (0.53) CYP2A6IMPDH2PIM1PIM3ALDH1A1
SCHEMBL15330818 0.78 ICMT (0.55) CYP2A6IMPDH2PIM1PIM3ALDH1A1
SCHEMBL12680425 0.78 CYP2A6 (0.50) CYP2A6IMPDH2PIM1PIM3ALDH1A1
SCHEMBL15331663 0.77 ALDH1A1 (0.48) CYP2A6IMPDH2PIM1PIM3ALDH1A1
SCHEMBL15330951 0.76 ERN1 (0.61) CYP2A6IMPDH2PIM1PIM3ALDH1A1

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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