SCHEMBL10371673

SCHEMBL10371673

Clc1ccc2[nH]nc(NCCCN3CCOCC3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.64
▸ MAPT P10636 2/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ LMNA P02545 1/20 0.64
▸ IDE P14735 1/20 0.64
▸ HPGD P15428 1/20 0.64
▸ HTT P42858 1/20 0.64
▸ POLB P06746 1/20 0.55
▸ CDC7 O00311 1/20 0.53
▸ FLT3 P36888 2/20 0.52
▸ MAPK1 P28482 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ TP53 P04637 1/20 0.48
▸ MCHR1 Q99705 2/20 0.47
▸ ITGB2 P05107 1/20 0.47
▸ ICAM1 P05362 1/20 0.47
▸ ITGAL P20701 1/20 0.47
▸ EIF2AK2 P19525 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
SCHEMBL10368569 0.90 HRH3 (0.51) KDM4EMAPTALDH1A1LMNAIDE
SCHEMBL10371164 0.88 HRH3 (0.53) KDM4EMAPTALDH1A1LMNAIDE
SCHEMBL10369412 0.88 HRH3 (0.53) KDM4EMAPTALDH1A1LMNAIDE
SCHEMBL10371678 0.86 CDC7 (0.51) KDM4EMAPTALDH1A1LMNAIDE
SCHEMBL10370127 0.85 MCHR1 (0.54) KDM4EMAPTALDH1A1LMNAIDE
SCHEMBL10370145 0.84 MCHR1 (0.53) KDM4EMAPTALDH1A1LMNAIDE
SCHEMBL10370849 0.84 MCHR1 (0.53) KDM4EMAPTALDH1A1LMNAIDE
SCHEMBL10370852 0.84 HRH3 (0.54) KDM4EMAPTALDH1A1LMNAIDE
SCHEMBL10367734 0.83 KDM4E (0.57) KDM4EMAPTALDH1A1LMNAHTT
Hydrochloric Acid SCHEMBL10369259 0.82 KDM4E (0.56) KDM4EMAPTALDH1A1LMNAHTT

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
EP-0090972-B1 INDAZOLE DERIVATIVES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1990-05-30 — — EP disclosed
US-4533731-A ANTIINFLAMMATORY AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-08-06 — — US disclosed
EP-0090972-A2 Indazole derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-10-12 — — EP disclosed
Send feedback