SCHEMBL9075825

SCHEMBL9075825

N#CC(=Cc1ccccc1)CBr

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 2/20 0.50
▸ LMNA P02545 2/20 0.45
▸ PLIN1 O60240 1/20 0.45
▸ PLIN5 Q00G26 1/20 0.45
▸ ABHD5 Q8WTS1 1/20 0.45
▸ POLB P06746 3/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ PKM P14618 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ FBP1 P09467 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ AKR1C3 P42330 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HPGD P15428 2/20 0.37

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
SCHEMBL4630811 0.82 MCL1 (0.52) MCL1LMNAPLIN1PLIN5ABHD5
SCHEMBL4630806 0.82 MCL1 (0.52) MCL1LMNAPLIN1PLIN5ABHD5
SCHEMBL24148437 0.81 ALDH1A1 (0.53) LMNAPOLBPKMALDH1A1KDM4E
SCHEMBL11761402 0.80 MCL1 (0.55) MCL1LMNAPLIN1PLIN5ABHD5
SCHEMBL18192045 0.80 MCL1 (0.50) MCL1LMNAPLIN1PLIN5ABHD5
SCHEMBL11761398 0.80 MCL1 (0.55) MCL1LMNAPLIN1PLIN5ABHD5
SCHEMBL14604980 0.80 MCL1 (0.50) MCL1LMNAPLIN1PLIN5ABHD5
SCHEMBL10187523 0.80 MCL1 (0.50) MCL1LMNAPLIN1PLIN5ABHD5
SCHEMBL7109240 0.77 MCL1 (0.47) MCL1LMNAPLIN1PLIN5ABHD5
SCHEMBL11764470 0.77 MCL1 (0.51) MCL1LMNAPLIN1PLIN5ABHD5

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
US-5508417-A FUNGICIDES, BACTERICIDES, ALGICIDE ROHM AND HAAS COMPANY (US) 1996-04-16 — — US disclosed
US-4847404-A FLUORESCENT DYES, OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1989-07-11 — — US disclosed
US-4780558-A CHEMICAL INTERMEDIATES FOR STILBENE FLUORESCENT WHITENING AGENTS CIBA-GEIGY CORPORATION (US) 1988-10-25 — — US disclosed
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